N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C18H18N6O2S — CID 51135286

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3ccc(N4CCCC4)nc3)n2)c[nH]1
InChIInChI=1S/C18H18N6O2S/c19-16(25)13-7-12(9-20-13)14-10-27-18(22-14)23-17(26)11-3-4-15(21-8-11)24-5-1-2-6-24/h3-4,7-10,20H,1-2,5-6H2,(H2,19,25)(H,22,23,26)
InChIKeyRAACQLKFVLUYAK-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.48
Rot. Bonds5

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 51135286) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID51135286
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)c3ccc(N4CCCC4)nc3)n2)c[nH]1
InChIInChI=1S/C18H18N6O2S/c19-16(25)13-7-12(9-20-13)14-10-27-18(22-14)23-17(26)11-3-4-15(21-8-11)24-5-1-2-6-24/h3-4,7-10,20H,1-2,5-6H2,(H2,19,25)(H,22,23,26)
InChIKeyRAACQLKFVLUYAK-UHFFFAOYSA-N
XLogP2.48
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55596810
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[(3-iodobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710642
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
tert-butyl N-[4-[[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]carbamate
CID 55549265
4-[2-[[4-bromo-3-(dimethylsulfamoyl)benzoyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55547634
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46411411
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119277924
4-[2-[(5-chloro-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710663

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 51135286) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)c3ccc(N4CCCC4)nc3)n2)c[nH]1.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is RAACQLKFVLUYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c19-16(25)13-7-12(9-20-13)14-10-27-18(22-14)23-17(26)11-3-4-15(21-8-11)24-5-1-2-6-24/h3-4,7-10,20H,1-2,5-6H2,(H2,19,25)(H,22,23,26).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 51135286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).