8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one

C21H25N5O — CID 58166852

IUPAC8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NCC3CCCCC3)n2)c1
InChIInChI=1S/C21H25N5O/c1-14-7-9-22-17(11-14)25-18-12-16-8-10-23-21(27)19(16)20(26-18)24-13-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyWVQQWRJDRBLZHK-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.36
Rot. Bonds5

About 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one

8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one (PubChem CID 58166852) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
PubChem CID58166852
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
SMILESCc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NCC3CCCCC3)n2)c1
InChIInChI=1S/C21H25N5O/c1-14-7-9-22-17(11-14)25-18-12-16-8-10-23-21(27)19(16)20(26-18)24-13-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,23,27)(H2,22,24,25,26)
InChIKeyWVQQWRJDRBLZHK-UHFFFAOYSA-N
XLogP4.36
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-methyl-2-pyridinyl)amino]-8-(piperidin-4-ylmethylamino)-2H-2,7-naphthyridin-1-one
CID 66925452
6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166928
2-methyl-6-[(4-methyl-2-pyridinyl)amino]-8-[[(2R)-oxolan-2-yl]methylamino]-2,7-naphthyridin-1-one
CID 50925172
2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
CID 58167290
6-(2-aminopyrimidin-5-yl)-8-(cyclopropylmethylamino)-2H-2,7-naphthyridin-1-one
CID 58167367
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 50925036
8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 76691772
8-(tert-butylamino)-2-ethyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 58167093
2-(2-methoxyethyl)-6-[(4-methyl-2-pyridinyl)amino]-8-(propan-2-ylamino)-2,7-naphthyridin-1-one
CID 58167485
3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine
CID 123979332
8-[[(2S)-1-hydroxypropan-2-yl]amino]-6-[(4-methyl-2-pyridinyl)amino]-2-propan-2-yl-2,7-naphthyridin-1-one
CID 58167037
4-methyl-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413738

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one (CID 58166852) is 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one is Cc1ccnc(Nc2cc3cc[nH]c(=O)c3c(NCC3CCCCC3)n2)c1.
What is the InChIKey of 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?
The InChIKey is WVQQWRJDRBLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-7-9-22-17(11-14)25-18-12-16-8-10-23-21(27)19(16)20(26-18)24-13-15-5-3-2-4-6-15/h7-12,15H,2-6,13H2,1H3,(H,23,27)(H2,22,24,25,26).
What are the key properties of 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one?
8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 363.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).