N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C15H19N7O — CID 71810874

IUPACN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C15H19N7O/c23-15(20-12-3-4-12)11-2-1-5-21(7-11)13-6-14(18-9-17-13)22-10-16-8-19-22/h6,8-12H,1-5,7H2,(H,20,23)
InChIKeyTVIKEYJEOATIOZ-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.55
Rot. Bonds4

About N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 71810874) has the molecular formula C15H19N7O and a molecular weight of 313.36 g/mol. Its IUPAC name is N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID71810874
Molecular FormulaC15H19N7O
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC NameN-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)C1CCCN(c2cc(-n3cncn3)ncn2)C1
InChIInChI=1S/C15H19N7O/c23-15(20-12-3-4-12)11-2-1-5-21(7-11)13-6-14(18-9-17-13)22-10-16-8-19-22/h6,8-12H,1-5,7H2,(H,20,23)
InChIKeyTVIKEYJEOATIOZ-UHFFFAOYSA-N
XLogP0.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-((3S,4S)-4-amino-1-(6-(cyclopropylamino)pyrimidin-4-yl)pyrrolidin-3-yl)piperidin-2-one
CID 53318987
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797553
N-cyclopropyl-3-{1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188588
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-propylpropanamide
CID 53188605
3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-4-piperidyl}-N-isopropylpropanamide
CID 53188611
3-{1-[6-(cyclopropylamino)-4-pyrimidinyl]-4-piperidyl}-N-ethylpropanamide
CID 53188623
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-isobutylpropanamide
CID 53188643
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N-methyl-N-propylpropanamide
CID 53188648
3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}-N,N-diethylpropanamide
CID 53188661
N-butyl-3-{1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188794
ethyl 4-(1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxamido)piperidine-1-carboxylate
CID 72719827

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 71810874) is N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)C1CCCN(c2cc(-n3cncn3)ncn2)C1.
What is the InChIKey of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is TVIKEYJEOATIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c23-15(20-12-3-4-12)11-2-1-5-21(7-11)13-6-14(18-9-17-13)22-10-16-8-19-22/h6,8-12H,1-5,7H2,(H,20,23).
What are the key properties of N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?
N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71810874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).