N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

C30H28FN5O2 — CID 168929405

IUPACN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C30H28FN5O2/c1-18-4-7-23(35-29(38)22-10-12-33-26(15-22)30(2,3)31)17-24(18)20-8-11-32-25(14-20)21-9-13-34-27(16-21)36-28(37)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,35,38)(H,34,36,37)
InChIKeyRZHYYXPIEGXPMS-UHFFFAOYSA-N
MW509.59 g/mol
LogP6.32
Rot. Bonds7

About N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (PubChem CID 168929405) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
PubChem CID168929405
Molecular FormulaC30H28FN5O2
Molecular Weight509.59 g/mol
Exact Mass509.22
IUPAC NameN-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C30H28FN5O2/c1-18-4-7-23(35-29(38)22-10-12-33-26(15-22)30(2,3)31)17-24(18)20-8-11-32-25(14-20)21-9-13-34-27(16-21)36-28(37)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,35,38)(H,34,36,37)
InChIKeyRZHYYXPIEGXPMS-UHFFFAOYSA-N
XLogP6.32
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide (CID 168929405) is N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1ccnc(-c2ccnc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
The InChIKey is RZHYYXPIEGXPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-18-4-7-23(35-29(38)22-10-12-33-26(15-22)30(2,3)31)17-24(18)20-8-11-32-25(14-20)21-9-13-34-27(16-21)36-28(37)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,35,38)(H,34,36,37).
What are the key properties of N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide?
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide has a molecular weight of 509.59 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 168929405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).