N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide

C10H16N4O — CID 104972137

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1cnc[nH]1
InChIInChI=1S/C10H16N4O/c15-10(9-6-11-7-14-9)13-5-3-8-2-1-4-12-8/h6-8,12H,1-5H2,(H,11,14)(H,13,15)/t8-/m0/s1
InChIKeyWWURRQGVSPGQKM-QMMMGPOBSA-N
MW208.26 g/mol
LogP0.28
Rot. Bonds4

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide (PubChem CID 104972137) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
PubChem CID104972137
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1cnc[nH]1
InChIInChI=1S/C10H16N4O/c15-10(9-6-11-7-14-9)13-5-3-8-2-1-4-12-8/h6-8,12H,1-5H2,(H,11,14)(H,13,15)/t8-/m0/s1
InChIKeyWWURRQGVSPGQKM-QMMMGPOBSA-N
XLogP0.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104971798
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
3-methoxy-N-(2-pyrrolidin-2-ylethyl)pyridine-4-carboxamide
CID 105064206
N-[2-[(2R)-1-benzylpiperidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 125158764
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104972057

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide (CID 104972137) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide is O=C(NCC[C@@H]1CCCN1)c1cnc[nH]1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is WWURRQGVSPGQKM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(9-6-11-7-14-9)13-5-3-8-2-1-4-12-8/h6-8,12H,1-5H2,(H,11,14)(H,13,15)/t8-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 104972137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).