N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

C19H22N6OS — CID 11632360

IUPACN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN2Cc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H22N6OS/c1-14-9-16(23-19(22-14)25-7-5-20-13-25)10-21-18(26)17-3-2-6-24(17)11-15-4-8-27-12-15/h4-5,7-9,12-13,17H,2-3,6,10-11H2,1H3,(H,21,26)
InChIKeyUBWLOAAIGMQEOC-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.31
Rot. Bonds6

About N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide

N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 11632360) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID11632360
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCc1cc(CNC(=O)C2CCCN2Cc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C19H22N6OS/c1-14-9-16(23-19(22-14)25-7-5-20-13-25)10-21-18(26)17-3-2-6-24(17)11-15-4-8-27-12-15/h4-5,7-9,12-13,17H,2-3,6,10-11H2,1H3,(H,21,26)
InChIKeyUBWLOAAIGMQEOC-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,5S)-5-[(ethylamino)carbonyl]-1-(3-thienylmethyl)pyrrolidin-3-yl]-4-methylpyrimidine-5-carboxamide
CID 72855573
(4S)-N-ethyl-4-[(1H-imidazol-1-ylacetyl)amino]-1-(3-thienylmethyl)-L-prolinamide
CID 72895326
1-methyl-N-[[7-(thiophene-3-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382142
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-2-thiophen-3-ylacetamide
CID 110117355
N-{4-[(Dimethylamino)methyl]-1-(pyrimidin-2-YL)pyrrolidin-3-YL}-2-(thiophen-3-YL)acetamide
CID 91911043
N-[2-[4-ethenyl-5-[(E)-2-[[5-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]amino]prop-1-enyl]imidazol-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 169109142
(2S,4R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-[(2-thienylcarbonyl)amino]pyrrolidine-2-carboxamide
CID 56708696
1-methyl-N-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyrrole-2-carboxamide
CID 97382129
2-imidazol-1-yl-N-[[3-methyl-7-(2-thiophen-2-ylacetyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 126467240
4,6-dimethyl-N-[3-[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyrimidine-5-carboxamide
CID 15941941
2-[1-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 22488656
2-[1-(5-ethyl-2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-2-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 54266912

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide (CID 11632360) is N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is Cc1cc(CNC(=O)C2CCCN2Cc2ccsc2)nc(-n2ccnc2)n1.
What is the InChIKey of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is UBWLOAAIGMQEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-14-9-16(23-19(22-14)25-7-5-20-13-25)10-21-18(26)17-3-2-6-24(17)11-15-4-8-27-12-15/h4-5,7-9,12-13,17H,2-3,6,10-11H2,1H3,(H,21,26).
What are the key properties of N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide?
N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11632360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).