N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

C28H24F2N6O2 — CID 168929535

IUPACN-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C28H24F2N6O2/c1-16-22(14-21(15-34-16)35-27(38)20-7-9-32-24(12-20)28(2,29)30)18-5-8-31-23(11-18)19-6-10-33-25(13-19)36-26(37)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,35,38)(H,33,36,37)
InChIKeyKOCSMLXCYBYXEQ-UHFFFAOYSA-N
MW514.54 g/mol
LogP5.62
Rot. Bonds7

About N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (PubChem CID 168929535) has the molecular formula C28H24F2N6O2 and a molecular weight of 514.54 g/mol. Its IUPAC name is N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
PubChem CID168929535
Molecular FormulaC28H24F2N6O2
Molecular Weight514.54 g/mol
Exact Mass514.19
IUPAC NameN-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C28H24F2N6O2/c1-16-22(14-21(15-34-16)35-27(38)20-7-9-32-24(12-20)28(2,29)30)18-5-8-31-23(11-18)19-6-10-33-25(13-19)36-26(37)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,35,38)(H,33,36,37)
InChIKeyKOCSMLXCYBYXEQ-UHFFFAOYSA-N
XLogP5.62
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.54
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (CID 168929535) is N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The InChIKey is KOCSMLXCYBYXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F2N6O2/c1-16-22(14-21(15-34-16)35-27(38)20-7-9-32-24(12-20)28(2,29)30)18-5-8-31-23(11-18)19-6-10-33-25(13-19)36-26(37)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,35,38)(H,33,36,37).
What are the key properties of N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide has a molecular weight of 514.54 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 168929535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).