N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

C23H17ClFN5O — CID 71010043

IUPACN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(Nc3ncccc3F)ccc2Cl)cn1
InChIInChI=1S/C23H17ClFN5O/c1-14-8-10-26-13-18(14)23(31)30-21-7-4-15(12-28-21)17-11-16(5-6-19(17)24)29-22-20(25)3-2-9-27-22/h2-13H,1H3,(H,27,29)(H,28,30,31)
InChIKeyRIZSMHIXKKLBPV-UHFFFAOYSA-N
MW433.87 g/mol
LogP5.64
Rot. Bonds5

About N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010043) has the molecular formula C23H17ClFN5O and a molecular weight of 433.87 g/mol. Its IUPAC name is N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010043
Molecular FormulaC23H17ClFN5O
Molecular Weight433.87 g/mol
Exact Mass433.11
IUPAC NameN-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(Nc3ncccc3F)ccc2Cl)cn1
InChIInChI=1S/C23H17ClFN5O/c1-14-8-10-26-13-18(14)23(31)30-21-7-4-15(12-28-21)17-11-16(5-6-19(17)24)29-22-20(25)3-2-9-27-22/h2-13H,1H3,(H,27,29)(H,28,30,31)
InChIKeyRIZSMHIXKKLBPV-UHFFFAOYSA-N
XLogP5.64
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010043) is N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(Nc3ncccc3F)ccc2Cl)cn1.
What is the InChIKey of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is RIZSMHIXKKLBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN5O/c1-14-8-10-26-13-18(14)23(31)30-21-7-4-15(12-28-21)17-11-16(5-6-19(17)24)29-22-20(25)3-2-9-27-22/h2-13H,1H3,(H,27,29)(H,28,30,31).
What are the key properties of N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 433.87 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-[(3-fluoro-2-pyridinyl)amino]phenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).