N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide

C17H15ClF3N3O — CID 71558838

IUPACN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H15ClF3N3O/c1-10-3-2-6-22-13(10)15(25)24-9-16(4-5-16)14-12(18)7-11(8-23-14)17(19,20)21/h2-3,6-8H,4-5,9H2,1H3,(H,24,25)
InChIKeySEWCFOVYUONXCH-UHFFFAOYSA-N
MW369.77 g/mol
LogP3.92
Rot. Bonds4

About N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide

N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 71558838) has the molecular formula C17H15ClF3N3O and a molecular weight of 369.77 g/mol. Its IUPAC name is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID71558838
Molecular FormulaC17H15ClF3N3O
Molecular Weight369.77 g/mol
Exact Mass369.09
IUPAC NameN-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NCC1(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C17H15ClF3N3O/c1-10-3-2-6-22-13(10)15(25)24-9-16(4-5-16)14-12(18)7-11(8-23-14)17(19,20)21/h2-3,6-8H,4-5,9H2,1H3,(H,24,25)
InChIKeySEWCFOVYUONXCH-UHFFFAOYSA-N
XLogP3.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.77
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide (CID 71558838) is N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NCC1(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is SEWCFOVYUONXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3N3O/c1-10-3-2-6-22-13(10)15(25)24-9-16(4-5-16)14-12(18)7-11(8-23-14)17(19,20)21/h2-3,6-8H,4-5,9H2,1H3,(H,24,25).
What are the key properties of N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide?
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 369.77 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 71558838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).