8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide

C20H22BrN5OS — CID 71459200

IUPAC8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide
SMILESNC1CCC(Nc2c(C(=O)NCc3cccs3)nc(Br)c3cccnc23)CC1
InChIInChI=1S/C20H22BrN5OS/c21-19-15-4-1-9-23-16(15)17(25-13-7-5-12(22)6-8-13)18(26-19)20(27)24-11-14-3-2-10-28-14/h1-4,9-10,12-13,25H,5-8,11,22H2,(H,24,27)
InChIKeyNBKCZNFIBFDFBC-UHFFFAOYSA-N
MW460.40 g/mol
LogP4.07
Rot. Bonds5

About 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide

8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide (PubChem CID 71459200) has the molecular formula C20H22BrN5OS and a molecular weight of 460.40 g/mol. Its IUPAC name is 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide
PubChem CID71459200
Molecular FormulaC20H22BrN5OS
Molecular Weight460.40 g/mol
Exact Mass459.07
IUPAC Name8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide
SMILESNC1CCC(Nc2c(C(=O)NCc3cccs3)nc(Br)c3cccnc23)CC1
InChIInChI=1S/C20H22BrN5OS/c21-19-15-4-1-9-23-16(15)17(25-13-7-5-12(22)6-8-13)18(26-19)20(27)24-11-14-3-2-10-28-14/h1-4,9-10,12-13,25H,5-8,11,22H2,(H,24,27)
InChIKeyNBKCZNFIBFDFBC-UHFFFAOYSA-N
XLogP4.07
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-[(4-aminocyclohexyl)amino]-5-bromo-N-(naphthalen-1-ylmethyl)-1,6-naphthyridine-7-carboxamide
CID 71527588
8-[(4-aminocyclohexyl)amino]-5-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-1,6-naphthyridine-7-carboxamide
CID 45376840
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 46084493
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134794015
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
CID 106770448
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
N-[3-(4-aminocyclohexyl)oxypropyl]-2-thiophen-2-ylacetamide
CID 63870819

Frequently Asked Questions

What is the IUPAC name of 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide (CID 71459200) is 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide is NC1CCC(Nc2c(C(=O)NCc3cccs3)nc(Br)c3cccnc23)CC1.
What is the InChIKey of 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide?
The InChIKey is NBKCZNFIBFDFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5OS/c21-19-15-4-1-9-23-16(15)17(25-13-7-5-12(22)6-8-13)18(26-19)20(27)24-11-14-3-2-10-28-14/h1-4,9-10,12-13,25H,5-8,11,22H2,(H,24,27).
What are the key properties of 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide?
8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide has a molecular weight of 460.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-aminocyclohexyl)amino]-5-bromo-N-(thiophen-2-ylmethyl)-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 71459200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).