N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide

C17H20N6O — CID 175649015

IUPACN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cc(C3CC3)ncn2)C1)c1ccncn1
InChIInChI=1S/C17H20N6O/c24-17(14-5-6-18-10-19-14)22-13-2-1-7-23(9-13)16-8-15(12-3-4-12)20-11-21-16/h5-6,8,10-13H,1-4,7,9H2,(H,22,24)
InChIKeyNASYGOSHRKRXBW-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.54
Rot. Bonds4

About N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide

N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide (PubChem CID 175649015) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
PubChem CID175649015
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC NameN-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide
SMILESO=C(NC1CCCN(c2cc(C3CC3)ncn2)C1)c1ccncn1
InChIInChI=1S/C17H20N6O/c24-17(14-5-6-18-10-19-14)22-13-2-1-7-23(9-13)16-8-15(12-3-4-12)20-11-21-16/h5-6,8,10-13H,1-4,7,9H2,(H,22,24)
InChIKeyNASYGOSHRKRXBW-UHFFFAOYSA-N
XLogP1.54
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650980
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650624
N-[1-(9-methylpurin-6-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175650599
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 175651152
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
CID 99740869
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
CID 99873086

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide (CID 175649015) is N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide is O=C(NC1CCCN(c2cc(C3CC3)ncn2)C1)c1ccncn1.
What is the InChIKey of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
The InChIKey is NASYGOSHRKRXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c24-17(14-5-6-18-10-19-14)22-13-2-1-7-23(9-13)16-8-15(12-3-4-12)20-11-21-16/h5-6,8,10-13H,1-4,7,9H2,(H,22,24).
What are the key properties of N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide?
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide has a molecular weight of 324.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 175649015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).