4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

C27H25FN6O2 — CID 168930010

IUPAC4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C27H25FN6O2/c1-16-21(17-5-8-30-22(11-17)18-6-9-31-23(12-18)26(36)29-4)14-20(15-33-16)34-25(35)19-7-10-32-24(13-19)27(2,3)28/h5-15H,1-4H3,(H,29,36)(H,34,35)
InChIKeyIDUKNUQHHMGTML-UHFFFAOYSA-N
MW484.54 g/mol
LogP4.73
Rot. Bonds6

About 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide

4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 168930010) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID168930010
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC Name4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C27H25FN6O2/c1-16-21(17-5-8-30-22(11-17)18-6-9-31-23(12-18)26(36)29-4)14-20(15-33-16)34-25(35)19-7-10-32-24(13-19)27(2,3)28/h5-15H,1-4H3,(H,29,36)(H,34,35)
InChIKeyIDUKNUQHHMGTML-UHFFFAOYSA-N
XLogP4.73
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 168930010) is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)cnc3C)ccn2)ccn1.
What is the InChIKey of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is IDUKNUQHHMGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16-21(17-5-8-30-22(11-17)18-6-9-31-23(12-18)26(36)29-4)14-20(15-33-16)34-25(35)19-7-10-32-24(13-19)27(2,3)28/h5-15H,1-4H3,(H,29,36)(H,34,35).
What are the key properties of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168930010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).