2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide

C13H21N3O2 — CID 114326149

IUPAC2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(6-3-7-17)13(18)11-4-5-15-12(8-11)9-14/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3
InChIKeyAVSNGGNVFHCCTR-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.77
Rot. Bonds6

About 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide

2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 114326149) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
PubChem CID114326149
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(CCCO)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(6-3-7-17)13(18)11-4-5-15-12(8-11)9-14/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3
InChIKeyAVSNGGNVFHCCTR-UHFFFAOYSA-N
XLogP0.77
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 106752314
N-(3-hydroxypropyl)-N-propan-2-ylquinoline-6-carboxamide
CID 62875387
3-amino-4-bromo-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61140432
N-(3-hydroxypropyl)-N-propan-2-yl-2H-benzotriazole-5-carboxamide
CID 54916380
2-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 114326080
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
2-amino-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 62156310
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
2-[[2-(aminomethyl)pyridine-4-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 114326521
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 115116349
4-carbamothioyl-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 54999256

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide (CID 114326149) is 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(CCCO)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is AVSNGGNVFHCCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16(6-3-7-17)13(18)11-4-5-15-12(8-11)9-14/h4-5,8,10,17H,3,6-7,9,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide?
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 114326149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).