N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide

C12H19N3O2 — CID 104593590

IUPACN-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCNCC(C)O)c1
InChIInChI=1S/C12H19N3O2/c1-9-5-11(8-14-6-9)12(17)15-4-3-13-7-10(2)16/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyNANTYTWRFRZMAM-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.09
Rot. Bonds6

About N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide

N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide (PubChem CID 104593590) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
PubChem CID104593590
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCCNCC(C)O)c1
InChIInChI=1S/C12H19N3O2/c1-9-5-11(8-14-6-9)12(17)15-4-3-13-7-10(2)16/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyNANTYTWRFRZMAM-UHFFFAOYSA-N
XLogP0.09
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 ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430430
3,4-dichloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 104593713
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
3-N-[2-(2-hydroxypropylamino)ethyl]benzene-1,3-dicarboxamide
CID 104593481
N-[2-(2-bromoethoxy)ethyl]-5-methylpyridine-3-carboxamide
CID 114309523
5-methyl-N-[5-(pentan-2-ylcarbamoylamino)hexyl]pyridine-3-carboxamide
CID 90941953
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide (CID 104593590) is N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCCNCC(C)O)c1.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide?
The InChIKey is NANTYTWRFRZMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-5-11(8-14-6-9)12(17)15-4-3-13-7-10(2)16/h5-6,8,10,13,16H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide?
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 104593590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).