N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide

C14H21N3O2 — CID 143839961

IUPACN-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
SMILESCCC(=O)c1cccnc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C14H21N3O2/c1-5-12(18)11-7-6-8-15-13(11)14(19)16-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,16,19)
InChIKeyZBOHEADDJUHXRE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.35
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide (PubChem CID 143839961) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
PubChem CID143839961
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide
SMILESCCC(=O)c1cccnc1C(=O)NC(C)CN(C)C
InChIInChI=1S/C14H21N3O2/c1-5-12(18)11-7-6-8-15-13(11)14(19)16-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,16,19)
InChIKeyZBOHEADDJUHXRE-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 122448607
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
CID 143839952
2-amino-N-[1-(dimethylamino)propan-2-yl]benzamide
CID 82946038
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
N-[1-(dimethylamino)propan-2-yl]-2-fluoro-3-methylbenzamide
CID 82946104
3-acetyl-N-[1-(dimethylamino)propan-2-yl]-N'-methylpyridine-2-carbohydrazide
CID 123528084
3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide (CID 143839961) is N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide is CCC(=O)c1cccnc1C(=O)NC(C)CN(C)C.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide?
The InChIKey is ZBOHEADDJUHXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-12(18)11-7-6-8-15-13(11)14(19)16-10(2)9-17(3)4/h6-8,10H,5,9H2,1-4H3,(H,16,19).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-3-propanoylpyridine-2-carboxamide is sourced from PubChem (CID 143839961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).