4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide

C13H21N3O2 — CID 61147334

IUPAC4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(CCCO)C(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(7-4-8-17)11-5-6-15-12(9-11)13(18)14-3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,14,18)
InChIKeyAUJDSZLTXBBONR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.04
Rot. Bonds6

About 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide

4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 61147334) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
PubChem CID61147334
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(CCCO)C(C)C)ccn1
InChIInChI=1S/C13H21N3O2/c1-10(2)16(7-4-8-17)11-5-6-15-12(9-11)13(18)14-3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,14,18)
InChIKeyAUJDSZLTXBBONR-UHFFFAOYSA-N
XLogP1.04
TPSA65.46 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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 61147660
4-[(3-amino-3-iminopropyl)-propan-2-ylamino]-N-methylpyridine-2-carboxamide
CID 54996820
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813
4-[[2-(ethylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]butanoic acid
CID 60839856
4-[butyl(2-hydroxyethyl)amino]-N-methylpyridine-2-carboxamide
CID 61447985
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide (CID 61147334) is 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N(CCCO)C(C)C)ccn1.
What is the InChIKey of 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is AUJDSZLTXBBONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16(7-4-8-17)11-5-6-15-12(9-11)13(18)14-3/h5-6,9-10,17H,4,7-8H2,1-3H3,(H,14,18).
What are the key properties of 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide?
4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61147334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).