N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide

C22H17ClN4OS — CID 10180477

IUPACN-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccsc2)cnc1NCc1ccncc1
InChIInChI=1S/C22H17ClN4OS/c23-18-1-3-19(4-2-18)27-22(28)20-11-17(16-7-10-29-14-16)13-26-21(20)25-12-15-5-8-24-9-6-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28)
InChIKeyXTJAAKUOFNPJKZ-UHFFFAOYSA-N
MW420.93 g/mol
LogP5.72
Rot. Bonds6

About N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide

N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide (PubChem CID 10180477) has the molecular formula C22H17ClN4OS and a molecular weight of 420.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide
PubChem CID10180477
Molecular FormulaC22H17ClN4OS
Molecular Weight420.93 g/mol
Exact Mass420.08
IUPAC NameN-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cc(-c2ccsc2)cnc1NCc1ccncc1
InChIInChI=1S/C22H17ClN4OS/c23-18-1-3-19(4-2-18)27-22(28)20-11-17(16-7-10-29-14-16)13-26-21(20)25-12-15-5-8-24-9-6-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28)
InChIKeyXTJAAKUOFNPJKZ-UHFFFAOYSA-N
XLogP5.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.93
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10275331
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CID 113012926
N-(4-propan-2-ylphenyl)-4-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 22249256
3-N-(pyridin-4-ylmethyl)-5-thiophen-3-ylpyrazine-2,3-diamine
CID 86000949
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylsulfanyl)thiophene-3-carboxamide
CID 10021460
6-chloro-N-(3,4-dichlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10294845
2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-chlorophenyl)-5-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 121316901
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
2-(4-chlorophenyl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]acetamide
CID 121165718
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide (CID 10180477) is N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccsc2)cnc1NCc1ccncc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide?
The InChIKey is XTJAAKUOFNPJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4OS/c23-18-1-3-19(4-2-18)27-22(28)20-11-17(16-7-10-29-14-16)13-26-21(20)25-12-15-5-8-24-9-6-15/h1-11,13-14H,12H2,(H,25,26)(H,27,28).
What are the key properties of N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide?
N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide has a molecular weight of 420.93 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)-5-thiophen-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 10180477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).