N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine

C34H38N12O — CID 158056931

IUPACN-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(N)cc3n2)c1.CCCC(=O)Nc1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C19H22N6O.C15H16N6/c1-4-5-19(26)22-14-9-16-15(20-11-14)6-7-17(23-16)24-18-8-13(12(2)3)10-21-25-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12/h6-12H,4-5H2,1-3H3,(H,22,26)(H,23,24,25);3-9H,16H2,1-2H3,(H,19,20,21)
InChIKeyFKDYSCDIDLVXRX-UHFFFAOYSA-N
MW630.76 g/mol
LogP6.89
Rot. Bonds9

About N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine

N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 158056931) has the molecular formula C34H38N12O and a molecular weight of 630.76 g/mol. Its IUPAC name is N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound NameN-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID158056931
Molecular FormulaC34H38N12O
Molecular Weight630.76 g/mol
Exact Mass630.33
IUPAC NameN-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCC(C)c1cnnc(Nc2ccc3ncc(N)cc3n2)c1.CCCC(=O)Nc1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1
InChIInChI=1S/C19H22N6O.C15H16N6/c1-4-5-19(26)22-14-9-16-15(20-11-14)6-7-17(23-16)24-18-8-13(12(2)3)10-21-25-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12/h6-12H,4-5H2,1-3H3,(H,22,26)(H,23,24,25);3-9H,16H2,1-2H3,(H,19,20,21)
InChIKeyFKDYSCDIDLVXRX-UHFFFAOYSA-N
XLogP6.89
TPSA182.30 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500630.76
LogP ≤ 56.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine with MolForge

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Related Compounds

2-phenylmethoxy-N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]acetamide
CID 118497395
N-methyl-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90288849
N-(2-hydroxyethyl)-6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridine-3-carboxamide
CID 90289139
7-[(Z)-2-amino-4-iminopent-2-en-3-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 144665115
7-piperidin-1-yl-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289299
N-(3-methylquinoxalin-6-yl)butanamide
CID 154505426
1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
CID 118504159
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90288531
7-[4-(2-aminoethyl)imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine;7-[4-[2-(dimethylamino)ethyl]imidazol-1-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 160652404
7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288861
7-[1-amino-3-(2-methoxy-3-pyrrolidin-1-ylpropyl)iminoprop-1-en-2-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 148722426
N-[3-imino-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]propyl]-N',N'-dimethylpropane-1,3-diamine
CID 146400692

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine (CID 158056931) is N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is CC(C)c1cnnc(Nc2ccc3ncc(N)cc3n2)c1.CCCC(=O)Nc1cnc2ccc(Nc3cc(C(C)C)cnn3)nc2c1.
What is the InChIKey of N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is FKDYSCDIDLVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.C15H16N6/c1-4-5-19(26)22-14-9-16-15(20-11-14)6-7-17(23-16)24-18-8-13(12(2)3)10-21-25-18;1-9(2)10-5-15(21-18-7-10)20-14-4-3-12-13(19-14)6-11(16)8-17-12/h6-12H,4-5H2,1-3H3,(H,22,26)(H,23,24,25);3-9H,16H2,1-2H3,(H,19,20,21).
What are the key properties of N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine?
N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 630.76 g/mol, XLogP of 6.89, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]butanamide;2-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 158056931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).