4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide

C30H30FN5O4 — CID 168929421

IUPAC4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C30H30FN5O4/c1-18-5-6-22(35-28(38)20-8-10-34-26(15-20)30(2,3)31)17-23(18)21-14-24(36-27(16-21)40-12-11-37)19-7-9-33-25(13-19)29(39)32-4/h5-10,13-17,37H,11-12H2,1-4H3,(H,32,39)(H,35,38)
InChIKeyDHNRISORMJJIEE-UHFFFAOYSA-N
MW543.60 g/mol
LogP4.70
Rot. Bonds9

About 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide

4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 168929421) has the molecular formula C30H30FN5O4 and a molecular weight of 543.60 g/mol. Its IUPAC name is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID168929421
Molecular FormulaC30H30FN5O4
Molecular Weight543.60 g/mol
Exact Mass543.23
IUPAC Name4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)cc(OCCO)n2)ccn1
InChIInChI=1S/C30H30FN5O4/c1-18-5-6-22(35-28(38)20-8-10-34-26(15-20)30(2,3)31)17-23(18)21-14-24(36-27(16-21)40-12-11-37)19-7-9-33-25(13-19)29(39)32-4/h5-10,13-17,37H,11-12H2,1-4H3,(H,32,39)(H,35,38)
InChIKeyDHNRISORMJJIEE-UHFFFAOYSA-N
XLogP4.70
TPSA126.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 168929421) is 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-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-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)F)c4)ccc3C)cc(OCCO)n2)ccn1.
What is the InChIKey of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is DHNRISORMJJIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN5O4/c1-18-5-6-22(35-28(38)20-8-10-34-26(15-20)30(2,3)31)17-23(18)21-14-24(36-27(16-21)40-12-11-37)19-7-9-33-25(13-19)29(39)32-4/h5-10,13-17,37H,11-12H2,1-4H3,(H,32,39)(H,35,38).
What are the key properties of 4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 543.60 g/mol, XLogP of 4.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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-methylphenyl]-6-(2-hydroxyethoxy)-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168929421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).