N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

C18H21N7O — CID 74230830

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3ccc(-n4cnnc4)nc3)CC2)n1
InChIInChI=1S/C18H21N7O/c1-13-7-14(2)25(23-13)10-18(5-6-18)9-20-17(26)15-3-4-16(19-8-15)24-11-21-22-12-24/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,20,26)
InChIKeyLCVHWOJKGZCPLL-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.69
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (PubChem CID 74230830) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
PubChem CID74230830
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3ccc(-n4cnnc4)nc3)CC2)n1
InChIInChI=1S/C18H21N7O/c1-13-7-14(2)25(23-13)10-18(5-6-18)9-20-17(26)15-3-4-16(19-8-15)24-11-21-22-12-24/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,20,26)
InChIKeyLCVHWOJKGZCPLL-UHFFFAOYSA-N
XLogP1.69
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
CID 77081747
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74245566
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 77086345
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
CID 154822775
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
CID 77085723
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74246890
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
CID 72930030

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide (CID 74230830) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is Cc1cc(C)n(CC2(CNC(=O)c3ccc(-n4cnnc4)nc3)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
The InChIKey is LCVHWOJKGZCPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-13-7-14(2)25(23-13)10-18(5-6-18)9-20-17(26)15-3-4-16(19-8-15)24-11-21-22-12-24/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H,20,26).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 74230830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).