N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide

C23H19N5OS — CID 10409496

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C23H19N5OS/c1-30-23-19(8-5-11-26-23)22(29)28-21-15-17(10-13-25-21)16-9-12-24-20(14-16)27-18-6-3-2-4-7-18/h2-15H,1H3,(H,24,27)(H,25,28,29)
InChIKeyFUZONYSHPDYCQD-UHFFFAOYSA-N
MW413.51 g/mol
LogP5.26
Rot. Bonds6

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 10409496) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID10409496
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1
InChIInChI=1S/C23H19N5OS/c1-30-23-19(8-5-11-26-23)22(29)28-21-15-17(10-13-25-21)16-9-12-24-20(14-16)27-18-6-3-2-4-7-18/h2-15H,1H3,(H,24,27)(H,25,28,29)
InChIKeyFUZONYSHPDYCQD-UHFFFAOYSA-N
XLogP5.26
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 61318585
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-4-methoxybenzamide
CID 10475851
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-(4-fluorophenyl)urea
CID 67062221
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
1-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-3-thiophen-3-ylurea
CID 10068802
3-[(2-methylsulfanylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171778

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide (CID 10409496) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is FUZONYSHPDYCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c1-30-23-19(8-5-11-26-23)22(29)28-21-15-17(10-13-25-21)16-9-12-24-20(14-16)27-18-6-3-2-4-7-18/h2-15H,1H3,(H,24,27)(H,25,28,29).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 413.51 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 10409496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).