6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C23H21ClF2N4O2 — CID 164884743

IUPAC6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N(C(=O)C(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1Cl
InChIInChI=1S/C23H21ClF2N4O2/c1-14(2)30(23(32)21(25)26)20-8-6-16(10-18(20)24)19-7-5-17(13-28-19)22(31)29-12-15-4-3-9-27-11-15/h3-11,13-14,21H,12H2,1-2H3,(H,29,31)
InChIKeyKZKKSQVUODJJSU-UHFFFAOYSA-N
MW458.90 g/mol
LogP4.73
Rot. Bonds7

About 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 164884743) has the molecular formula C23H21ClF2N4O2 and a molecular weight of 458.90 g/mol. Its IUPAC name is 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID164884743
Molecular FormulaC23H21ClF2N4O2
Molecular Weight458.90 g/mol
Exact Mass458.13
IUPAC Name6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)N(C(=O)C(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1Cl
InChIInChI=1S/C23H21ClF2N4O2/c1-14(2)30(23(32)21(25)26)20-8-6-16(10-18(20)24)19-7-5-17(13-28-19)22(31)29-12-15-4-3-9-27-11-15/h3-11,13-14,21H,12H2,1-2H3,(H,29,31)
InChIKeyKZKKSQVUODJJSU-UHFFFAOYSA-N
XLogP4.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[acetyl(propan-2-yl)amino]-3-fluorophenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 164884838
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
N-[(3-fluorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841647
6-[4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884723
N-[(4-methylphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149733
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884802
6-(2-fluoro-4-methylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360760
methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate
CID 164884787
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166131077

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 164884743) is 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CC(C)N(C(=O)C(F)F)c1ccc(-c2ccc(C(=O)NCc3cccnc3)cn2)cc1Cl.
What is the InChIKey of 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KZKKSQVUODJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF2N4O2/c1-14(2)30(23(32)21(25)26)20-8-6-16(10-18(20)24)19-7-5-17(13-28-19)22(31)29-12-15-4-3-9-27-11-15/h3-11,13-14,21H,12H2,1-2H3,(H,29,31).
What are the key properties of 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 458.90 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 164884743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).