N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide

C19H26N4O — CID 56872932

IUPACN-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(CN2CCC(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-14-12-19(15(2)23(14)21-16(3)24)13-22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,12,18H,6-7,10-11,13H2,1-3H3,(H,21,24)
InChIKeyHWONQSXCNTXDJG-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.97
Rot. Bonds4

About N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide

N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide (PubChem CID 56872932) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide
PubChem CID56872932
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide
SMILESCC(=O)Nn1c(C)cc(CN2CCC(c3ccncc3)CC2)c1C
InChIInChI=1S/C19H26N4O/c1-14-12-19(15(2)23(14)21-16(3)24)13-22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,12,18H,6-7,10-11,13H2,1-3H3,(H,21,24)
InChIKeyHWONQSXCNTXDJG-UHFFFAOYSA-N
XLogP2.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide?
The IUPAC name of N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide (CID 56872932) is N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide?
The canonical SMILES for N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide is CC(=O)Nn1c(C)cc(CN2CCC(c3ccncc3)CC2)c1C.
What is the InChIKey of N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide?
The InChIKey is HWONQSXCNTXDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-12-19(15(2)23(14)21-16(3)24)13-22-10-6-18(7-11-22)17-4-8-20-9-5-17/h4-5,8-9,12,18H,6-7,10-11,13H2,1-3H3,(H,21,24).
What are the key properties of N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide?
N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]pyrrol-1-yl]acetamide is sourced from PubChem (CID 56872932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).