4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid

C18H17N5O2 — CID 138695630

IUPAC4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1nc(Nc2ccc3cnccc3n2)cc(NC2CC2)c1C(=O)O
InChIInChI=1S/C18H17N5O2/c1-10-17(18(24)25)14(21-12-3-4-12)8-16(20-10)23-15-5-2-11-9-19-7-6-13(11)22-15/h2,5-9,12H,3-4H2,1H3,(H,24,25)(H2,20,21,22,23)
InChIKeyDXHMEOHKRACYFV-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.35
Rot. Bonds5

About 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid

4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 138695630) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
PubChem CID138695630
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1nc(Nc2ccc3cnccc3n2)cc(NC2CC2)c1C(=O)O
InChIInChI=1S/C18H17N5O2/c1-10-17(18(24)25)14(21-12-3-4-12)8-16(20-10)23-15-5-2-11-9-19-7-6-13(11)22-15/h2,5-9,12H,3-4H2,1H3,(H,24,25)(H2,20,21,22,23)
InChIKeyDXHMEOHKRACYFV-UHFFFAOYSA-N
XLogP3.35
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[2-(Quinolin-6-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647266
1-methyl-2,3,4,5-tetrahydro-1H-azepino[2,3-b]quinolin-6-amine 5-bromonicotinate
CID 645234
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
CID 90155093
US11053219, Example 159
CID 155639621
2-[(2-Phenylquinazolin-4-yl)amino]ethyl pyridine-3-carboxylate
CID 1643484
US11053219, Example 126
CID 155639598
(7S,8R)-2-[[5-[(2S)-2-aminobutan-2-yl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380816
2-[[5-(2-aminopropan-2-yl)-8-(ethylamino)-2,7-naphthyridin-3-yl]amino]-7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165380823
(7S,8R)-2-[[5-[(1R)-1-amino-1-cyclopropylethyl]-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380833
(7S,8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,8-dimethyl-7,8-dihydropyrano[4,3-b]pyridin-5-one
CID 165380947
(8R)-2-[[5-(2-aminopropan-2-yl)-8-(cyclopropylamino)-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381089
(8R)-2-[[5-[(1R)-1-aminopropyl]-8-methyl-2,7-naphthyridin-3-yl]amino]-7,7,8-trimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 165381150

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid (CID 138695630) is 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid is Cc1nc(Nc2ccc3cnccc3n2)cc(NC2CC2)c1C(=O)O.
What is the InChIKey of 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is DXHMEOHKRACYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-17(18(24)25)14(21-12-3-4-12)8-16(20-10)23-15-5-2-11-9-19-7-6-13(11)22-15/h2,5-9,12H,3-4H2,1H3,(H,24,25)(H2,20,21,22,23).
What are the key properties of 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid?
4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 335.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-2-methyl-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 138695630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).