6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide

C21H18ClF2N5O2 — CID 166131176

IUPAC6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCc3ccnnc3)cn2)cc1Cl
InChIInChI=1S/C21H18ClF2N5O2/c1-13(30)29(12-20(23)24)19-5-3-15(8-17(19)22)18-4-2-16(11-25-18)21(31)26-9-14-6-7-27-28-10-14/h2-8,10-11,20H,9,12H2,1H3,(H,26,31)
InChIKeyPYTQPEIADBCXKO-UHFFFAOYSA-N
MW445.86 g/mol
LogP3.74
Rot. Bonds7

About 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide

6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 166131176) has the molecular formula C21H18ClF2N5O2 and a molecular weight of 445.86 g/mol. Its IUPAC name is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID166131176
Molecular FormulaC21H18ClF2N5O2
Molecular Weight445.86 g/mol
Exact Mass445.11
IUPAC Name6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
SMILESCC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCc3ccnnc3)cn2)cc1Cl
InChIInChI=1S/C21H18ClF2N5O2/c1-13(30)29(12-20(23)24)19-5-3-15(8-17(19)22)18-4-2-16(11-25-18)21(31)26-9-14-6-7-27-28-10-14/h2-8,10-11,20H,9,12H2,1H3,(H,26,31)
InChIKeyPYTQPEIADBCXKO-UHFFFAOYSA-N
XLogP3.74
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.86
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166131002
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(2-amino-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884802
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166131077
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 166131232
6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-N-[2-(6-isocyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 172500675
6-[4-[acetyl(cyclopropylmethyl)amino]-3-fluorophenyl]-N-[2-(6-chloro-3-pyridinyl)ethyl]pyridine-3-carboxamide
CID 166130990
6-[4-[acetyl(propyl)amino]-3-methylphenyl]-N-[(2-methyl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 164884821
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
CID 167199889
methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate
CID 164884787
N-[(4-chlorophenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 71841638
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide (CID 166131176) is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide is CC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCc3ccnnc3)cn2)cc1Cl.
What is the InChIKey of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PYTQPEIADBCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N5O2/c1-13(30)29(12-20(23)24)19-5-3-15(8-17(19)22)18-4-2-16(11-25-18)21(31)26-9-14-6-7-27-28-10-14/h2-8,10-11,20H,9,12H2,1H3,(H,26,31).
What are the key properties of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide?
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 445.86 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 166131176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).