4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide

C12H17N5O — CID 64519328

IUPAC4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-8(2)17-7-9(13)5-10(17)12(18)16-6-11-14-3-4-15-11/h3-5,7-8H,6,13H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyGEHQFMAHOZPFCE-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 64519328) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID64519328
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCc1ncc[nH]1
InChIInChI=1S/C12H17N5O/c1-8(2)17-7-9(13)5-10(17)12(18)16-6-11-14-3-4-15-11/h3-5,7-8H,6,13H2,1-2H3,(H,14,15)(H,16,18)
InChIKeyGEHQFMAHOZPFCE-UHFFFAOYSA-N
XLogP1.30
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63564434
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62636228
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 114698174
4-amino-N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62223612
4-amino-N-(2-hydroxypentyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113495460
4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
4-amino-1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 106281034
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
4-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62038962
4-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 80681128
2-methylpropyl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64531064

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 64519328) is 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCc1ncc[nH]1.
What is the InChIKey of 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is GEHQFMAHOZPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8(2)17-7-9(13)5-10(17)12(18)16-6-11-14-3-4-15-11/h3-5,7-8H,6,13H2,1-2H3,(H,14,15)(H,16,18).
What are the key properties of 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 64519328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).