2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide

C19H30N4O2 — CID 117090636

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N2CCCC(C(=O)N(CC)CC)C2)c1
InChIInChI=1S/C19H30N4O2/c1-4-10-21-18(24)15-9-11-20-17(13-15)23-12-7-8-16(14-23)19(25)22(5-2)6-3/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,24)
InChIKeyAQZKAPLZGBSQPM-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.31
Rot. Bonds7

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide (PubChem CID 117090636) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
PubChem CID117090636
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(N2CCCC(C(=O)N(CC)CC)C2)c1
InChIInChI=1S/C19H30N4O2/c1-4-10-21-18(24)15-9-11-20-17(13-15)23-12-7-8-16(14-23)19(25)22(5-2)6-3/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,24)
InChIKeyAQZKAPLZGBSQPM-UHFFFAOYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 117093679
N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574612
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
N-cyclopropyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117088957
N,N-diethyl-1-[6-[3-[2-oxo-2-(propylamino)ethyl]indol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide
CID 117089167
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
2-(azepan-1-yl)-N-ethyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 84574449
N-(4-acetamidophenyl)-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094656
(3R)-1-[2-(4-methylphenyl)pyrimidin-4-yl]-N,N-dipropylpiperidine-3-carboxamide
CID 95069875
N-benzyl-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094335
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 46981532
2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N-ethylpyridine-4-carboxamide
CID 97191265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide (CID 117090636) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide is CCCNC(=O)c1ccnc(N2CCCC(C(=O)N(CC)CC)C2)c1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide?
The InChIKey is AQZKAPLZGBSQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-10-21-18(24)15-9-11-20-17(13-15)23-12-7-8-16(14-23)19(25)22(5-2)6-3/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 117090636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).