(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

C10H16N4O — CID 63293809

IUPAC(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c1-14-6-5-12-9(14)7-13-10(15)8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyNWIXFVVLWOLCSN-QMMMGPOBSA-N
MW208.26 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 63293809) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID63293809
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCn1ccnc1CNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c1-14-6-5-12-9(14)7-13-10(15)8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyNWIXFVVLWOLCSN-QMMMGPOBSA-N
XLogP-0.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]piperidine-2-carboxamide
CID 63293631
N-[(1-methylimidazol-2-yl)methyl]azepane-2-carboxamide
CID 64568957
N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 119876342
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470805
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
1-(azepan-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533288
(2S)-N-(1H-imidazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 64529963
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 106047444
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 63293809) is (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is Cn1ccnc1CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NWIXFVVLWOLCSN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-6-5-12-9(14)7-13-10(15)8-3-2-4-11-8/h5-6,8,11H,2-4,7H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63293809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).