4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide

C13H21N3O2 — CID 61245711

IUPAC4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(CO)CC(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-9(2)6-11(8-17)16-10-4-5-15-12(7-10)13(18)14-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyGBNIHFNDQZPQPX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.26
Rot. Bonds6

About 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide

4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 61245711) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID61245711
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(CO)CC(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-9(2)6-11(8-17)16-10-4-5-15-12(7-10)13(18)14-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyGBNIHFNDQZPQPX-UHFFFAOYSA-N
XLogP1.26
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
CID 63925495
3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
CID 43517917
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
4-(hex-1-yn-3-ylamino)-N-methylpyridine-2-carboxamide
CID 114161466
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 43517740
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
N-methyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 62665007
4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide (CID 61245711) is 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC(CO)CC(C)C)ccn1.
What is the InChIKey of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is GBNIHFNDQZPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)6-11(8-17)16-10-4-5-15-12(7-10)13(18)14-3/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide?
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61245711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).