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

C16H23N7O — CID 90600238

IUPACN-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H23N7O/c1-3-12(2)21-16(24)13-4-6-22(7-5-13)14-8-15(19-10-18-14)23-11-17-9-20-23/h8-13H,3-7H2,1-2H3,(H,21,24)
InChIKeyIIBPMQBJAWTEQU-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.19
Rot. Bonds5

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

N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 90600238) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID90600238
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1
InChIInChI=1S/C16H23N7O/c1-3-12(2)21-16(24)13-4-6-22(7-5-13)14-8-15(19-10-18-14)23-11-17-9-20-23/h8-13H,3-7H2,1-2H3,(H,21,24)
InChIKeyIIBPMQBJAWTEQU-UHFFFAOYSA-N
XLogP1.19
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-Pyrazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53550834
1-[3-(4-Methylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53560138
1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-N-cyclopropylpiperidine-3-carboxamide
CID 71810874
1-[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 72142769
4-(Pyrimidin-2-ylamino)-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]butan-1-one
CID 72143064
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
[1-[6-(Cyclopentylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155542518
N-cyclopentyl-3-{1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanamide
CID 53188519
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{[1-(2-pyrimidinyl)-3-piperidinyl]methyl}acetamide
CID 45195839
1-(6-piperidin-1-ylpyrimidin-4-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 53170493
N-Isopentyl-1-(6-piperidino-4-pyrimidinyl)-4-piperidinecarboxamide
CID 53170494

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide (CID 90600238) is N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1.
What is the InChIKey of N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is IIBPMQBJAWTEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-3-12(2)21-16(24)13-4-6-22(7-5-13)14-8-15(19-10-18-14)23-11-17-9-20-23/h8-13H,3-7H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide?
N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90600238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).