2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide

C14H14N4O2S — CID 91625826

IUPAC2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c19-13-16-6-7-18(13)14(20)17-9-10-3-1-5-15-12(10)11-4-2-8-21-11/h1-5,8H,6-7,9H2,(H,16,19)(H,17,20)
InChIKeyNYJXPRRCNAMBIS-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.04
Rot. Bonds3

About 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide

2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide (PubChem CID 91625826) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
PubChem CID91625826
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide
SMILESO=C1NCCN1C(=O)NCc1cccnc1-c1cccs1
InChIInChI=1S/C14H14N4O2S/c19-13-16-6-7-18(13)14(20)17-9-10-3-1-5-15-12(10)11-4-2-8-21-11/h1-5,8H,6-7,9H2,(H,16,19)(H,17,20)
InChIKeyNYJXPRRCNAMBIS-UHFFFAOYSA-N
XLogP2.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[(2-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 121166342
5-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 121166239
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
4-acetamido-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166193
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
(3S)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 100746069
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
3-methyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166266
3-(2-methylphenyl)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]propanamide
CID 121166173
3,5-ditert-butyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166153
4-(1,3-thiazol-2-yloxy)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166290
N-[(2-thiophen-2-yl-3-pyridinyl)methyl]cyclopropanesulfonamide
CID 121166356

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide (CID 91625826) is 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide is O=C1NCCN1C(=O)NCc1cccnc1-c1cccs1.
What is the InChIKey of 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide?
The InChIKey is NYJXPRRCNAMBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-13-16-6-7-18(13)14(20)17-9-10-3-1-5-15-12(10)11-4-2-8-21-11/h1-5,8H,6-7,9H2,(H,16,19)(H,17,20).
What are the key properties of 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide?
2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide has a molecular weight of 302.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]imidazolidine-1-carboxamide is sourced from PubChem (CID 91625826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).