2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide

C9H14N4O — CID 140910040

IUPAC2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCN1CC[C@@H](c2ncc(C(N)=O)[nH]2)C1
InChIInChI=1S/C9H14N4O/c1-13-3-2-6(5-13)9-11-4-7(12-9)8(10)14/h4,6H,2-3,5H2,1H3,(H2,10,14)(H,11,12)/t6-/m1/s1
InChIKeyRCEYMHVRZCABDG-ZCFIWIBFSA-N
MW194.24 g/mol
LogP-0.07
Rot. Bonds2

About 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide

2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide (PubChem CID 140910040) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide
PubChem CID140910040
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide
SMILESCN1CC[C@@H](c2ncc(C(N)=O)[nH]2)C1
InChIInChI=1S/C9H14N4O/c1-13-3-2-6(5-13)9-11-4-7(12-9)8(10)14/h4,6H,2-3,5H2,1H3,(H2,10,14)(H,11,12)/t6-/m1/s1
InChIKeyRCEYMHVRZCABDG-ZCFIWIBFSA-N
XLogP-0.07
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazole-5-carboxamide
CID 152917
2-cyclopropyl-1H-imidazole-4-carboxamide
CID 71755948
5-N-[4-(diaminomethylideneamino)butyl]-2-N-pentyl-1H-imidazole-2,5-dicarboxamide
CID 155201791
5-N-[4-(diaminomethylideneamino)butyl]-2-N-hexyl-1H-imidazole-2,5-dicarboxamide
CID 155201882
US10022354, Example 19
CID 121279557
2-methyl-1H-imidazole-4-carboxamide
CID 14517188
N-Methyl-1H-imidazole-4-carboxamide
CID 565659
5-N-[4-(diaminomethylideneamino)butyl]-2-N-[2-(methylamino)-2-oxoethyl]-1H-imidazole-2,5-dicarboxamide
CID 168297962
2-(1H-imidazol-2-yl)-1H-imidazole-5-carboxamide
CID 44339733
US10022354, Example 204
CID 121279712
US10022354, Example 203
CID 132070232
N-(1-Methylethyl)-1H-imidazole-5-carboxamide
CID 18976076

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide (CID 140910040) is 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide is CN1CC[C@@H](c2ncc(C(N)=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
The InChIKey is RCEYMHVRZCABDG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-3-2-6(5-13)9-11-4-7(12-9)8(10)14/h4,6H,2-3,5H2,1H3,(H2,10,14)(H,11,12)/t6-/m1/s1.
What are the key properties of 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide?
2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 140910040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).