N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C26H21F3N6O2 — CID 155253600

IUPACN-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NC(=O)C3CC3)nc2nc1C
InChIInChI=1S/C26H21F3N6O2/c1-13-3-6-18(33-24(37)16-7-8-30-21(10-16)26(27,28)29)11-19(13)20-9-17-12-31-25(34-22(17)32-14(20)2)35-23(36)15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,33,37)(H,31,32,34,35,36)
InChIKeyPEOBUXPFDYIBKD-UHFFFAOYSA-N
MW506.49 g/mol
LogP5.32
Rot. Bonds5

About N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 155253600) has the molecular formula C26H21F3N6O2 and a molecular weight of 506.49 g/mol. Its IUPAC name is N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID155253600
Molecular FormulaC26H21F3N6O2
Molecular Weight506.49 g/mol
Exact Mass506.17
IUPAC NameN-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NC(=O)C3CC3)nc2nc1C
InChIInChI=1S/C26H21F3N6O2/c1-13-3-6-18(33-24(37)16-7-8-30-21(10-16)26(27,28)29)11-19(13)20-9-17-12-31-25(34-22(17)32-14(20)2)35-23(36)15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,33,37)(H,31,32,34,35,36)
InChIKeyPEOBUXPFDYIBKD-UHFFFAOYSA-N
XLogP5.32
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.49
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 155253600) is N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc2cnc(NC(=O)C3CC3)nc2nc1C.
What is the InChIKey of N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is PEOBUXPFDYIBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6O2/c1-13-3-6-18(33-24(37)16-7-8-30-21(10-16)26(27,28)29)11-19(13)20-9-17-12-31-25(34-22(17)32-14(20)2)35-23(36)15-4-5-15/h3,6-12,15H,4-5H2,1-2H3,(H,33,37)(H,31,32,34,35,36).
What are the key properties of N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 506.49 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(cyclopropanecarbonylamino)-7-methylpyrido[2,3-d]pyrimidin-6-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 155253600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).