N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide

C15H19N5O — CID 90652236

IUPACN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1cc[nH]c1
InChIInChI=1S/C15H19N5O/c21-14(13-4-7-16-10-13)19-9-12-3-1-8-20(11-12)15-17-5-2-6-18-15/h2,4-7,10,12,16H,1,3,8-9,11H2,(H,19,21)
InChIKeyMRDCZPZVCQIMNF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.45
Rot. Bonds4

About N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide (PubChem CID 90652236) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
PubChem CID90652236
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCCN(c2ncccn2)C1)c1cc[nH]c1
InChIInChI=1S/C15H19N5O/c21-14(13-4-7-16-10-13)19-9-12-3-1-8-20(11-12)15-17-5-2-6-18-15/h2,4-7,10,12,16H,1,3,8-9,11H2,(H,19,21)
InChIKeyMRDCZPZVCQIMNF-UHFFFAOYSA-N
XLogP1.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-indole-6-carboxamide
CID 77088126
N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2H-benzotriazole-5-carboxamide
CID 99928341
3-oxo-N-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99939662
5-chloro-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 90648732
4-methoxy-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 90649799
8-fluoro-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]quinoline-2-carboxamide
CID 97138878
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
1,2-dimethyl-3-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]guanidine
CID 97160556
1,2-dimethyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]guanidine
CID 86814436
2-[3-(2-aminoethoxy)phenyl]-N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]acetamide
CID 118795123
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea
CID 134089920
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]acetamide
CID 99926421

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide (CID 90652236) is N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide is O=C(NCC1CCCN(c2ncccn2)C1)c1cc[nH]c1.
What is the InChIKey of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide?
The InChIKey is MRDCZPZVCQIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(13-4-7-16-10-13)19-9-12-3-1-8-20(11-12)15-17-5-2-6-18-15/h2,4-7,10,12,16H,1,3,8-9,11H2,(H,19,21).
What are the key properties of N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide?
N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).