6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide

C26H22F2N6O2 — CID 168930025

IUPAC6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)c2)ncn1
InChIInChI=1S/C26H22F2N6O2/c1-15-4-5-19(34-24(35)16-6-7-31-23(9-16)26(2,27)28)10-20(15)17-8-18(13-30-12-17)21-11-22(25(36)29-3)33-14-32-21/h4-14H,1-3H3,(H,29,36)(H,34,35)
InChIKeyWHDJEVVPFDFHIH-UHFFFAOYSA-N
MW488.50 g/mol
LogP4.63
Rot. Bonds6

About 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide

6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide (PubChem CID 168930025) has the molecular formula C26H22F2N6O2 and a molecular weight of 488.50 g/mol. Its IUPAC name is 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
PubChem CID168930025
Molecular FormulaC26H22F2N6O2
Molecular Weight488.50 g/mol
Exact Mass488.18
IUPAC Name6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)c2)ncn1
InChIInChI=1S/C26H22F2N6O2/c1-15-4-5-19(34-24(35)16-6-7-31-23(9-16)26(2,27)28)10-20(15)17-8-18(13-30-12-17)21-11-22(25(36)29-3)33-14-32-21/h4-14H,1-3H3,(H,29,36)(H,34,35)
InChIKeyWHDJEVVPFDFHIH-UHFFFAOYSA-N
XLogP4.63
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.50
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide with MolForge

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Related Compounds

methyl N-[6-[5-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168929287
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168928767
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
methyl N-[6-[5-[2-methyl-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 176572423
N-[3-[5-[cyano(ethyl)amino]-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 140809737
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539
2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
CID 168929774
4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
CID 168929427
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 168930595

Frequently Asked Questions

What is the IUPAC name of 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide (CID 168930025) is 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4ccnc(C(C)(F)F)c4)ccc3C)c2)ncn1.
What is the InChIKey of 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is WHDJEVVPFDFHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N6O2/c1-15-4-5-19(34-24(35)16-6-7-31-23(9-16)26(2,27)28)10-20(15)17-8-18(13-30-12-17)21-11-22(25(36)29-3)33-14-32-21/h4-14H,1-3H3,(H,29,36)(H,34,35).
What are the key properties of 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide?
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 488.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168930025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).