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

C14H23N3O2 — CID 61147660

IUPAC4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C)N(CCCO)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)17(8-5-9-18)12-6-7-15-13(10-12)14(19)16(3)4/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyYJJTZHOFIQOXAF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds6

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

4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 61147660) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID61147660
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide
SMILESCC(C)N(CCCO)c1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C14H23N3O2/c1-11(2)17(8-5-9-18)12-6-7-15-13(10-12)14(19)16(3)4/h6-7,10-11,18H,5,8-9H2,1-4H3
InChIKeyYJJTZHOFIQOXAF-UHFFFAOYSA-N
XLogP1.38
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-hydroxypropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61147334
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-[3-aminopropyl(propan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 43517704
4-(hydroxymethyl)-N,N-dimethylpyridine-2-carboxamide
CID 59848916
4-[benzyl(propan-2-yl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109217244
N,N-dimethyl-4-propan-2-ylpyridine-2-carboxamide;ethane;propane
CID 160778205
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide (CID 61147660) is 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide is CC(C)N(CCCO)c1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is YJJTZHOFIQOXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)17(8-5-9-18)12-6-7-15-13(10-12)14(19)16(3)4/h6-7,10-11,18H,5,8-9H2,1-4H3.
What are the key properties of 4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide?
4-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 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,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 61147660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).