N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

C15H24N4O2 — CID 139324383

IUPACN-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)NC(C)N)c(N2CCC[C@@H](O)C2)nc1C
InChIInChI=1S/C15H24N4O2/c1-9-7-13(15(21)18-11(3)16)14(17-10(9)2)19-6-4-5-12(20)8-19/h7,11-12,20H,4-6,8,16H2,1-3H3,(H,18,21)/t11?,12-/m1/s1
InChIKeyWZOQYAIYSMICSR-PIJUOVFKSA-N
MW292.38 g/mol
LogP0.69
Rot. Bonds3

About N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide

N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (PubChem CID 139324383) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
PubChem CID139324383
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C(=O)NC(C)N)c(N2CCC[C@@H](O)C2)nc1C
InChIInChI=1S/C15H24N4O2/c1-9-7-13(15(21)18-11(3)16)14(17-10(9)2)19-6-4-5-12(20)8-19/h7,11-12,20H,4-6,8,16H2,1-3H3,(H,18,21)/t11?,12-/m1/s1
InChIKeyWZOQYAIYSMICSR-PIJUOVFKSA-N
XLogP0.69
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[[(1S,2R)-2-hydroxy-cyclohexyl]-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 70816915
2-amino-7-(3-cyclopropyl-3-hydroxy-prop-1-ynyl)-1-ethyl-N-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 25123661
2-(6-azaspiro[2.5]octan-6-yl)-N-[6-(2-hydroxyethylamino)-2-pyridinyl]-6-[(1-hydroxy-2-methylpropan-2-yl)amino]pyridine-3-carboxamide
CID 153625321
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-hydroxypiperidin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153625332
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3R)-3-hydroxypiperidin-1-yl]-4-methyl-2-pyridinyl]pyridine-3-carboxamide
CID 153625532
2-(6-azaspiro[2.5]octan-6-yl)-6-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-[6-[(3S)-3-hydroxypiperidin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153625540
1-ethyl-N-(2-methoxyethyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 2302000
Nicotinamide, 2-anilino-N-ethyl-6-methyl-
CID 3061040
Pyrido(2,3-d)pyrimidine-6-carboxamide, 1,2,3,4-tetrahydro-3,7-dimethyl-4-oxo-1-(phenylmethyl)-N-2-propenyl-2-thioxo-
CID 3066087
1H-Pyrrolo(3,4-c)pyridine-1,3(2H)-dione, 2-((bis(2-hydroxyethyl)amino)methyl)-6-methyl-4-(1-piperidinyl)-
CID 3075246
6-acetyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 56763526
7-[4-(Aminomethyl)cyclohexyl]-1-(2-methoxyethyl)-3-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 66509726

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide (CID 139324383) is N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is Cc1cc(C(=O)NC(C)N)c(N2CCC[C@@H](O)C2)nc1C.
What is the InChIKey of N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
The InChIKey is WZOQYAIYSMICSR-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9-7-13(15(21)18-11(3)16)14(17-10(9)2)19-6-4-5-12(20)8-19/h7,11-12,20H,4-6,8,16H2,1-3H3,(H,18,21)/t11?,12-/m1/s1.
What are the key properties of N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide?
N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 139324383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).