N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide

C12H19N3O2 — CID 43517917

IUPACN-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC(CC)CO)ccn1
InChIInChI=1S/C12H19N3O2/c1-3-9(8-16)15-10-5-6-14-11(7-10)12(17)13-4-2/h5-7,9,16H,3-4,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyAJKWZQUKJUDPEW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.01
Rot. Bonds6

About N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide

N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide (PubChem CID 43517917) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
PubChem CID43517917
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC(CC)CO)ccn1
InChIInChI=1S/C12H19N3O2/c1-3-9(8-16)15-10-5-6-14-11(7-10)12(17)13-4-2/h5-7,9,16H,3-4,8H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyAJKWZQUKJUDPEW-UHFFFAOYSA-N
XLogP1.01
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-hydroxybutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395737
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
N-ethyl-4-[1-(furan-2-yl)ethylamino]pyridine-2-carboxamide
CID 43535737
N-ethyl-4-[[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]amino]pyridine-2-carboxamide
CID 97212779
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61245711
4-[(2-amino-2-oxoethyl)amino]-N-ethylpyridine-2-carboxamide
CID 43517858
N-ethyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 62142219
4-(1-aminobutan-2-ylamino)pyridine-2-carboxamide
CID 63764940
4-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]benzoic acid
CID 43517798
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide (CID 43517917) is N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide is CCNC(=O)c1cc(NC(CC)CO)ccn1.
What is the InChIKey of N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is AJKWZQUKJUDPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-9(8-16)15-10-5-6-14-11(7-10)12(17)13-4-2/h5-7,9,16H,3-4,8H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide?
N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-hydroxybutan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 43517917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).