N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

C24H25ClFN5O — CID 77259409

IUPACN-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(CNCC2(c3cccc(F)c3)CC2C(=O)Nc2cc(C)c(Cl)cn2)c(C)n1
InChIInChI=1S/C24H25ClFN5O/c1-14-7-22(29-12-21(14)25)31-23(32)20-9-24(20,18-5-4-6-19(26)8-18)13-27-10-17-11-28-16(3)30-15(17)2/h4-8,11-12,20,27H,9-10,13H2,1-3H3,(H,29,31,32)
InChIKeyHFNPQPJVXLQAOP-UHFFFAOYSA-N
MW453.95 g/mol
LogP4.28
Rot. Bonds7

About N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide

N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 77259409) has the molecular formula C24H25ClFN5O and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID77259409
Molecular FormulaC24H25ClFN5O
Molecular Weight453.95 g/mol
Exact Mass453.17
IUPAC NameN-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1ncc(CNCC2(c3cccc(F)c3)CC2C(=O)Nc2cc(C)c(Cl)cn2)c(C)n1
InChIInChI=1S/C24H25ClFN5O/c1-14-7-22(29-12-21(14)25)31-23(32)20-9-24(20,18-5-4-6-19(26)8-18)13-27-10-17-11-28-16(3)30-15(17)2/h4-8,11-12,20,27H,9-10,13H2,1-3H3,(H,29,31,32)
InChIKeyHFNPQPJVXLQAOP-UHFFFAOYSA-N
XLogP4.28
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide (CID 77259409) is N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is Cc1ncc(CNCC2(c3cccc(F)c3)CC2C(=O)Nc2cc(C)c(Cl)cn2)c(C)n1.
What is the InChIKey of N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is HFNPQPJVXLQAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN5O/c1-14-7-22(29-12-21(14)25)31-23(32)20-9-24(20,18-5-4-6-19(26)8-18)13-27-10-17-11-28-16(3)30-15(17)2/h4-8,11-12,20,27H,9-10,13H2,1-3H3,(H,29,31,32).
What are the key properties of N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide?
N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-2-pyridinyl)-2-[[(2,4-dimethylpyrimidin-5-yl)methylamino]methyl]-2-(3-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 77259409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).