N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide

C15H25N3O2 — CID 97212779

IUPACN-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC[C@@](C)(O)[C@@H](C)CC)ccn1
InChIInChI=1S/C15H25N3O2/c1-5-11(3)15(4,20)10-18-12-7-8-17-13(9-12)14(19)16-6-2/h7-9,11,20H,5-6,10H2,1-4H3,(H,16,19)(H,17,18)/t11-,15+/m0/s1
InChIKeyVVLCPLQOQNDUCV-XHDPSFHLSA-N
MW279.38 g/mol
LogP2.04
Rot. Bonds7

About N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide

N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide (PubChem CID 97212779) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
PubChem CID97212779
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC[C@@](C)(O)[C@@H](C)CC)ccn1
InChIInChI=1S/C15H25N3O2/c1-5-11(3)15(4,20)10-18-12-7-8-17-13(9-12)14(19)16-6-2/h7-9,11,20H,5-6,10H2,1-4H3,(H,16,19)(H,17,18)/t11-,15+/m0/s1
InChIKeyVVLCPLQOQNDUCV-XHDPSFHLSA-N
XLogP2.04
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917
4-[2-[di(propan-2-yl)amino]ethylamino]-N-ethylpyridine-2-carboxamide
CID 43517863
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
4-(2-cyclopropylpropylamino)-N-ethylpyridine-2-carboxamide
CID 113234707
4-[(2-amino-4-methylpentyl)amino]-N-ethylpyridine-2-carboxamide
CID 107159414
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-butan-2-yl-4-(ethylamino)pyridine-2-carboxamide
CID 62171647
N-ethyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-2-carboxamide
CID 79358278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide (CID 97212779) is N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide is CCNC(=O)c1cc(NC[C@@](C)(O)[C@@H](C)CC)ccn1.
What is the InChIKey of N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide?
The InChIKey is VVLCPLQOQNDUCV-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-11(3)15(4,20)10-18-12-7-8-17-13(9-12)14(19)16-6-2/h7-9,11,20H,5-6,10H2,1-4H3,(H,16,19)(H,17,18)/t11-,15+/m0/s1.
What are the key properties of N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide?
N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 97212779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).