N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide

C12H19N3O2 — CID 81242925

IUPACN-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cnccc1NC
InChIInChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)12(17)10-9-14-5-4-11(10)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyQZCDJBUDMDYBCN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.97
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide

N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide (PubChem CID 81242925) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
PubChem CID81242925
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cnccc1NC
InChIInChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)12(17)10-9-14-5-4-11(10)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,14)
InChIKeyQZCDJBUDMDYBCN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-bis(2-hydroxyethyl)pyridine-3-carboxamide
CID 81227403
N-benzyl-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 105068839
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(methylamino)pyridine-4-carboxamide
CID 107486032
N-(cyclopropylmethyl)-4-(ethylamino)-N-propylpyridine-3-carboxamide
CID 81242615
N-(2-hydroxyethyl)-N-propylpyridine-3-carboxamide
CID 60670678
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N,N-bis(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243339
4-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-3-carboxamide
CID 81256357
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054
N,N-bis(2-methoxyethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237784
N-butyl-N-(2-hydroxyethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81243352

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide (CID 81242925) is N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide is CCCN(CCO)C(=O)c1cnccc1NC.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is QZCDJBUDMDYBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-6-15(7-8-16)12(17)10-9-14-5-4-11(10)13-2/h4-5,9,16H,3,6-8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide?
N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 81242925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).