N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide

C18H24N4O — CID 91645696

IUPACN-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cccn2C2CCNCC2)cn1
InChIInChI=1S/C18H24N4O/c1-14-4-5-15(13-21-14)6-11-20-18(23)17-3-2-12-22(17)16-7-9-19-10-8-16/h2-5,12-13,16,19H,6-11H2,1H3,(H,20,23)
InChIKeyLFDNJPJRFLDOIT-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide

N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 91645696) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID91645696
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(CCNC(=O)c2cccn2C2CCNCC2)cn1
InChIInChI=1S/C18H24N4O/c1-14-4-5-15(13-21-14)6-11-20-18(23)17-3-2-12-22(17)16-7-9-19-10-8-16/h2-5,12-13,16,19H,6-11H2,1H3,(H,20,23)
InChIKeyLFDNJPJRFLDOIT-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
N-[2-(cyclopenten-1-yl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106175020
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-piperidin-4-yl-N-(3-propan-2-yloxypropyl)pyrrole-2-carboxamide
CID 62715930
N-hex-5-ynyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106213127
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103814714
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-cyclobutyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 114610271

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide (CID 91645696) is N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide is Cc1ccc(CCNC(=O)c2cccn2C2CCNCC2)cn1.
What is the InChIKey of N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is LFDNJPJRFLDOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-4-5-15(13-21-14)6-11-20-18(23)17-3-2-12-22(17)16-7-9-19-10-8-16/h2-5,12-13,16,19H,6-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 91645696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).