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

C21H22ClFN8O — CID 123547513

IUPACN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ncnn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1
InChIInChI=1S/C21H22ClFN8O/c1-13-27-12-28-31(13)19-5-2-14(8-24-19)20(32)30(16-3-4-16)18-6-7-29(11-17(18)23)21-25-9-15(22)10-26-21/h2,5,8-10,12,16-18H,3-4,6-7,11H2,1H3
InChIKeyUILQJGUSYGBFTQ-UHFFFAOYSA-N
MW456.91 g/mol
LogP2.64
Rot. Bonds5

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

N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 123547513) has the molecular formula C21H22ClFN8O and a molecular weight of 456.91 g/mol. Its IUPAC name is N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID123547513
Molecular FormulaC21H22ClFN8O
Molecular Weight456.91 g/mol
Exact Mass456.16
IUPAC NameN-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1ncnn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1
InChIInChI=1S/C21H22ClFN8O/c1-13-27-12-28-31(13)19-5-2-14(8-24-19)20(32)30(16-3-4-16)18-6-7-29(11-17(18)23)21-25-9-15(22)10-26-21/h2,5,8-10,12,16-18H,3-4,6-7,11H2,1H3
InChIKeyUILQJGUSYGBFTQ-UHFFFAOYSA-N
XLogP2.64
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(2-methylimidazol-1-yl)pyridine-3-carboxamide
CID 78012007
N-cyclopropyl-N-[(3S,4R)-1-(5-ethylpyrimidin-2-yl)-3-fluoropiperidin-4-yl]-6-iodopyridine-3-carboxamide
CID 89285405
N-cyclopropyl-N-[3-fluoro-1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-2-(2-methylimidazol-1-yl)pyrimidine-5-carboxamide
CID 123494632
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
6-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 112627949
N-cyclopropyl-N-[(3S,4R)-3-fluoro-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-5-[methyl-[(Z)-(methylideneamino)methylideneamino]amino]pyrazine-2-carboxamide
CID 172988794
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002
3-chloro-N-[1-[2-(5-chloro-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-N-(cyclopropylmethyl)-5-(trifluoromethyl)benzamide
CID 155434461
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 123547513) is N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1ncnn1-c1ccc(C(=O)N(C2CC2)C2CCN(c3ncc(Cl)cn3)CC2F)cn1.
What is the InChIKey of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is UILQJGUSYGBFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN8O/c1-13-27-12-28-31(13)19-5-2-14(8-24-19)20(32)30(16-3-4-16)18-6-7-29(11-17(18)23)21-25-9-15(22)10-26-21/h2,5,8-10,12,16-18H,3-4,6-7,11H2,1H3.
What are the key properties of N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloropyrimidin-2-yl)-3-fluoropiperidin-4-yl]-N-cyclopropyl-6-(5-methyl-1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).