6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

C32H31N11O3 — CID 158625226

IUPAC6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(N)=O)cc3n2)c1
InChIInChI=1S/C16H16N6O.C16H15N5O2/c1-9(2)10-6-15(22-19-8-10)21-14-4-3-12-13(20-14)5-11(7-18-12)16(17)23;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H2,17,23)(H,20,21,22);3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyHYMUSMJYZNKSSL-UHFFFAOYSA-N
MW617.67 g/mol
LogP5.37
Rot. Bonds8

About 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid

6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (PubChem CID 158625226) has the molecular formula C32H31N11O3 and a molecular weight of 617.67 g/mol. Its IUPAC name is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
PubChem CID158625226
Molecular FormulaC32H31N11O3
Molecular Weight617.67 g/mol
Exact Mass617.26
IUPAC Name6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
SMILESCC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(N)=O)cc3n2)c1
InChIInChI=1S/C16H16N6O.C16H15N5O2/c1-9(2)10-6-15(22-19-8-10)21-14-4-3-12-13(20-14)5-11(7-18-12)16(17)23;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H2,17,23)(H,20,21,22);3-9H,1-2H3,(H,22,23)(H,19,20,21)
InChIKeyHYMUSMJYZNKSSL-UHFFFAOYSA-N
XLogP5.37
TPSA207.57 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500617.67
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-N-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;7-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-2-(trifluoromethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxylic acid;(3R)-3-amino-1-[3-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[3,4-e][1,2,4]triazin-6-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(8-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-(5-methyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 158883004
3-[[1-[2-(4,4-Difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]amino]pyridine-4-carboxylic acid;1-[3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]amino]-4-pyridinyl]ethanone;3-[[1-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(4-fluorophenyl)pyrazol-5-yl]methyl]pyridine-4-carboxylic acid
CID 161922341
6-[3-[(4-Fluoropiperidin-4-yl)methyl]pyridazin-1-ium-1-yl]-2-pyrimidin-4-ylpyridine-3-carboxylic acid
CID 170152487
6-[1-(2,4-Diaminopteridin-6-yl)butan-2-yl]pyridine-3-carboxylic acid
CID 10735815
4-Amino-5-[4-[(4-methyl-2-pyridinyl)carbamoylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 57758140
5-[[2-(2-Piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]carbamoyl]pyridine-3-carboxylic acid
CID 66836548
6-[(5-Propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid
CID 90288835
N-methyl-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288849
N-(3-hydroxypropyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288877
N-phenyl-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288907
6-[(5-propan-2-ylpyridazin-3-yl)amino]-N-pyridin-4-yl-1,5-naphthyridine-3-carboxamide
CID 90289097
N-(4-hydroxybutyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90289235

Frequently Asked Questions

What is the IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid (CID 158625226) is 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is CC(C)c1cnnc(Nc2ccc3ncc(C(=O)O)cc3n2)c1.CC(C)c1cnnc(Nc2ccc3ncc(C(N)=O)cc3n2)c1.
What is the InChIKey of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is HYMUSMJYZNKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O.C16H15N5O2/c1-9(2)10-6-15(22-19-8-10)21-14-4-3-12-13(20-14)5-11(7-18-12)16(17)23;1-9(2)10-6-15(21-18-8-10)20-14-4-3-12-13(19-14)5-11(7-17-12)16(22)23/h3-9H,1-2H3,(H2,17,23)(H,20,21,22);3-9H,1-2H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid?
6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 617.67 g/mol, XLogP of 5.37, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide;6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 158625226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).