N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H21N5O — CID 71703277

IUPACN-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1cccc1CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H21N5O/c1-20-9-3-6-14(20)11-19-15(22)13-5-2-10-21(12-13)16-17-7-4-8-18-16/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,19,22)
InChIKeyZBTWGGQQMLDISE-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.35
Rot. Bonds4

About N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 71703277) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID71703277
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCn1cccc1CNC(=O)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H21N5O/c1-20-9-3-6-14(20)11-19-15(22)13-5-2-10-21(12-13)16-17-7-4-8-18-16/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,19,22)
InChIKeyZBTWGGQQMLDISE-UHFFFAOYSA-N
XLogP1.35
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[(1-methylpyrrol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-3-carboxamide
CID 97265936
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034995
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
N-[(3-methoxy-4-methylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51091928
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-(3-ethoxypropyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3309931
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 71703277) is N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is Cn1cccc1CNC(=O)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is ZBTWGGQQMLDISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-9-3-6-14(20)11-19-15(22)13-5-2-10-21(12-13)16-17-7-4-8-18-16/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,19,22).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71703277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).