2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide

C19H18N6OS — CID 90121835

IUPAC2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)cc(Nc2nc3ccc(C#N)cc3s2)n1
InChIInChI=1S/C19H18N6OS/c1-11-6-13(18(26)23-14-4-5-21-10-14)8-17(22-11)25-19-24-15-3-2-12(9-20)7-16(15)27-19/h2-3,6-8,14,21H,4-5,10H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHSVKKYPCRZGQPG-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.71
Rot. Bonds4

About 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide

2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide (PubChem CID 90121835) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
PubChem CID90121835
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCNC2)cc(Nc2nc3ccc(C#N)cc3s2)n1
InChIInChI=1S/C19H18N6OS/c1-11-6-13(18(26)23-14-4-5-21-10-14)8-17(22-11)25-19-24-15-3-2-12(9-20)7-16(15)27-19/h2-3,6-8,14,21H,4-5,10H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyHSVKKYPCRZGQPG-UHFFFAOYSA-N
XLogP2.71
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 90121735
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 90121945
N-(6-cyano-1,3-benzothiazol-2-yl)benzamide
CID 25259294
2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-N-[5-(methylamino)pentan-2-yl]pyridine-4-carboxamide
CID 134422564
2-[[4-(1-pyrrolidin-1-ylethenyl)-2-pyridinyl]amino]-1,3-benzothiazole-6-carbonitrile
CID 167017639
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
CID 114767063
N-cyclopropyl-2-[(2-methylpyrazol-3-yl)amino]-1,3-benzothiazole-6-carboxamide
CID 117081502
2-methyl-6-(piperidin-4-ylamino)pyridine-4-carbonitrile
CID 114769931
2,6-bis(4-cyanophenoxy)-N-piperidin-4-ylpyridine-4-carboxamide
CID 67607186
4,6-dimethyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 166178324
2-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-4-carboxamide
CID 79689593
N-[(3S)-pyrrolidin-3-yl]quinoline-6-carboxamide
CID 79688925

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The IUPAC name of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide (CID 90121835) is 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The canonical SMILES for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide is Cc1cc(C(=O)NC2CCNC2)cc(Nc2nc3ccc(C#N)cc3s2)n1.
What is the InChIKey of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
The InChIKey is HSVKKYPCRZGQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-11-6-13(18(26)23-14-4-5-21-10-14)8-17(22-11)25-19-24-15-3-2-12(9-20)7-16(15)27-19/h2-3,6-8,14,21H,4-5,10H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide?
2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-1,3-benzothiazol-2-yl)amino]-6-methyl-N-pyrrolidin-3-ylpyridine-4-carboxamide is sourced from PubChem (CID 90121835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).