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

C13H21N3O2 — CID 61447985

IUPAC4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(CCO)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C13H21N3O2/c1-3-4-7-16(8-9-17)11-5-6-15-12(10-11)13(18)14-2/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,14,18)
InChIKeyBWNOCZQKUAPXDO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds7

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

4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 61447985) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID61447985
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
SMILESCCCCN(CCO)c1ccnc(C(=O)NC)c1
InChIInChI=1S/C13H21N3O2/c1-3-4-7-16(8-9-17)11-5-6-15-12(10-11)13(18)14-2/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,14,18)
InChIKeyBWNOCZQKUAPXDO-UHFFFAOYSA-N
XLogP1.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[butyl(2-hydroxyethyl)amino]pyridine-2-carboxylic acid
CID 54948033
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
4-(diethylamino)-N-pentylpyridine-2-carboxamide
CID 109216501
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[2-aminoethyl(butyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63764911
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
N-cyclopentyl-4-(dipropylamino)pyridine-2-carboxamide
CID 109204064
4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-[butyl(methyl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211411
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide (CID 61447985) is 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide is CCCCN(CCO)c1ccnc(C(=O)NC)c1.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is BWNOCZQKUAPXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-7-16(8-9-17)11-5-6-15-12(10-11)13(18)14-2/h5-6,10,17H,3-4,7-9H2,1-2H3,(H,14,18).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide?
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61447985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).