N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide

C17H23N7O — CID 56705053

IUPACN-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCc1cc(N2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)ncn1
InChIInChI=1S/C17H23N7O/c1-2-12-9-16(19-11-18-12)23-7-5-14(6-8-23)24-10-15(21-22-24)17(25)20-13-3-4-13/h9-11,13-14H,2-8H2,1H3,(H,20,25)
InChIKeyOLCJKQYHAMOVPD-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.36
Rot. Bonds5

About N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide

N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 56705053) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID56705053
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCc1cc(N2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)ncn1
InChIInChI=1S/C17H23N7O/c1-2-12-9-16(19-11-18-12)23-7-5-14(6-8-23)24-10-15(21-22-24)17(25)20-13-3-4-13/h9-11,13-14H,2-8H2,1H3,(H,20,25)
InChIKeyOLCJKQYHAMOVPD-UHFFFAOYSA-N
XLogP1.36
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-ethylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropyl]amino]acetic acid
CID 137633110
2-[[3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-ethylpyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropyl]amino]ethylphosphonic acid
CID 137637211
3-[4-[[2-[[1-[3-[3-(Cyclohexylamino)propylamino]propyl]triazol-4-yl]methylamino]-6-methylpyrimidin-4-yl]amino]piperidin-1-yl]propanamide
CID 137637238
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-(1H-pyrazol-1-yl)pyrazine-2-carboxamide
CID 121416912
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 121427030
4-({3-[(4-cyclopropyl-1H-1,2,3-triazol-1-yl)methyl]piperidin-1-yl}carbonyl)-2,6-dimethylpyrimidine
CID 46983296
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-N-isobutyl-1H-1,2,3-triazole-4-carboxamide
CID 56722083
N-cyclopropyl-1-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-1H-1,2,3-triazole-4-carboxamide
CID 56723590
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
2-(ethylamino)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-5-pyrimidinecarboxamide
CID 72894787
1-[2-[3-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 110270538
[2-(4,6-Dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110270782

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide (CID 56705053) is N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide is CCc1cc(N2CCC(n3cc(C(=O)NC4CC4)nn3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is OLCJKQYHAMOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-12-9-16(19-11-18-12)23-7-5-14(6-8-23)24-10-15(21-22-24)17(25)20-13-3-4-13/h9-11,13-14H,2-8H2,1H3,(H,20,25).
What are the key properties of N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide?
N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 56705053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).