4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide

C12H19N3O2 — CID 61425976

IUPAC4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCN(CCO)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)10-4-5-14-11(9-10)12(17)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,17)
InChIKeyLVESGOPQQMHLTJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.65
Rot. Bonds6

About 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide

4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 61425976) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID61425976
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCN(CCO)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)10-4-5-14-11(9-10)12(17)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,17)
InChIKeyLVESGOPQQMHLTJ-UHFFFAOYSA-N
XLogP0.65
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-(dipropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211971
4-(dipropylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207495
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218448
4-(dipropylamino)-N'-hydroxypyridine-2-carboximidamide
CID 135965085

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide (CID 61425976) is 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide is CCCN(CCO)c1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is LVESGOPQQMHLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)10-4-5-14-11(9-10)12(17)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,17).
What are the key properties of 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide?
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61425976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).