N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

C16H18N4OS — CID 138047918

IUPACN-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1nccc(C2CC2)n1)N1CCCC1c1cccs1
InChIInChI=1S/C16H18N4OS/c21-16(19-15-17-8-7-12(18-15)11-5-6-11)20-9-1-3-13(20)14-4-2-10-22-14/h2,4,7-8,10-11,13H,1,3,5-6,9H2,(H,17,18,19,21)
InChIKeyFRWXMEQETXRLIE-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.78
Rot. Bonds3

About N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide

N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (PubChem CID 138047918) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
PubChem CID138047918
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC NameN-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1nccc(C2CC2)n1)N1CCCC1c1cccs1
InChIInChI=1S/C16H18N4OS/c21-16(19-15-17-8-7-12(18-15)11-5-6-11)20-9-1-3-13(20)14-4-2-10-22-14/h2,4,7-8,10-11,13H,1,3,5-6,9H2,(H,17,18,19,21)
InChIKeyFRWXMEQETXRLIE-UHFFFAOYSA-N
XLogP3.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
(2S)-N-[1-[2-(dimethylamino)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 124608734
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395
3-[(2-thiophen-2-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019481
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
N-(1H-indol-4-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 56825846
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2R)-N-pyrimidin-2-yl-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 124829882
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide (CID 138047918) is N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is O=C(Nc1nccc(C2CC2)n1)N1CCCC1c1cccs1.
What is the InChIKey of N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
The InChIKey is FRWXMEQETXRLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-16(19-15-17-8-7-12(18-15)11-5-6-11)20-9-1-3-13(20)14-4-2-10-22-14/h2,4,7-8,10-11,13H,1,3,5-6,9H2,(H,17,18,19,21).
What are the key properties of N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide?
N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropylpyrimidin-2-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 138047918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).