4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

C22H30N4O2 — CID 55858740

IUPAC4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H30N4O2/c1-4-7-19-20(16(3)27)15(2)24-21(19)22(28)25-17-9-12-26(13-10-17)14-18-8-5-6-11-23-18/h5-6,8,11,17,24H,4,7,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyQRHHXIFYKNQDJS-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.27
Rot. Bonds7

About 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide

4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 55858740) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID55858740
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
SMILESCCCc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C22H30N4O2/c1-4-7-19-20(16(3)27)15(2)24-21(19)22(28)25-17-9-12-26(13-10-17)14-18-8-5-6-11-23-18/h5-6,8,11,17,24H,4,7,9-10,12-14H2,1-3H3,(H,25,28)
InChIKeyQRHHXIFYKNQDJS-UHFFFAOYSA-N
XLogP3.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

5-chloro-4,6-dimethyl-2-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyridine-3-carboxamide
CID 74243432
4-[(4-acetyl-5-methyl-3-propyl-1H-pyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229808
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
4-acetyl-N-[(3S)-1-benzylpyrrolidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40811412
2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
CID 119901369
1-(3-bromo-4-methylphenyl)-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 78889744
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
2-benzamido-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 55858991
1-methyl-6-oxo-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyridazine-3-carboxamide
CID 75461600
2,5-dimethyl-1-propan-2-yl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 55859618

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide (CID 55858740) is 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is CCCc1c(C(=O)NC2CCN(Cc3ccccn3)CC2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is QRHHXIFYKNQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-7-19-20(16(3)27)15(2)24-21(19)22(28)25-17-9-12-26(13-10-17)14-18-8-5-6-11-23-18/h5-6,8,11,17,24H,4,7,9-10,12-14H2,1-3H3,(H,25,28).
What are the key properties of 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide?
4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-methyl-3-propyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55858740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).