6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid

C15H16N2O2 — CID 63011971

IUPAC6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(Cc1ccccc1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-11(9-12-5-3-2-4-6-12)17-14-8-7-13(10-16-14)15(18)19/h2-8,10-11H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyNDWMFUSDVPERRN-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.82
Rot. Bonds5

About 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid

6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 63011971) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID63011971
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(Cc1ccccc1)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O2/c1-11(9-12-5-3-2-4-6-12)17-14-8-7-13(10-16-14)15(18)19/h2-8,10-11H,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyNDWMFUSDVPERRN-UHFFFAOYSA-N
XLogP2.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
4-methyl-2-(1-phenylpropan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181314
6-(butan-2-ylamino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109151952
6-[[1-(ethylamino)-1-oxopropan-2-yl]amino]pyridine-3-carboxylic acid
CID 54959157
6-methyl-4-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81244858
6-[(1-hydroxy-3-phenylpropan-2-yl)amino]pyridine-3-carboxamide
CID 78998923
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 95227967
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
4-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]-5-phenylpentanoic acid
CID 122064237
6-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylic acid
CID 65034852

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid (CID 63011971) is 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid is CC(Cc1ccccc1)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is NDWMFUSDVPERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(9-12-5-3-2-4-6-12)17-14-8-7-13(10-16-14)15(18)19/h2-8,10-11H,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid?
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63011971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).