N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide

C20H23N5O — CID 100644023

IUPACN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C20H23N5O/c1-25-11-15(9-21)5-16(25)18(26)24-19-22-10-17(23-19)20-6-12-2-13(7-20)4-14(3-12)8-20/h5,10-14H,2-4,6-8H2,1H3,(H2,22,23,24,26)
InChIKeyXAZJSTUMOCGGCI-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.34
Rot. Bonds3

About N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide

N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide (PubChem CID 100644023) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide
PubChem CID100644023
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1
InChIInChI=1S/C20H23N5O/c1-25-11-15(9-21)5-16(25)18(26)24-19-22-10-17(23-19)20-6-12-2-13(7-20)4-14(3-12)8-20/h5,10-14H,2-4,6-8H2,1H3,(H2,22,23,24,26)
InChIKeyXAZJSTUMOCGGCI-UHFFFAOYSA-N
XLogP3.34
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-butyl-1,3-dihydroxynaphthalene-2-carboxamide
CID 91190737
N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-hydroxy-1-(3-methylbutyl)-2-oxo-3,4-dihydroquinoline-3-carboxamide
CID 58673621
N-[5-(1-adamantyl)-1H-imidazol-2-yl]-1-hydroxy-4-nonyl-3-oxo-4H-naphthalene-2-carboxamide
CID 58673701
4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
CID 131912405
(2S)-N-[1-[3-(1-adamantyl)propyl]-2-oxo-3-pyridinyl]-2-[(4-cyano-1-methylpyrrole-2-carbonyl)amino]-N'-methyl-5-oxohexanediamide
CID 166455600
4-cyano-N-[4-(2-hydroxyethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928569
4-cyano-1-methyl-N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]sulfanylphenyl]pyrrole-2-carboxamide
CID 124739455
4-cyano-1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 74238300
4-cyano-N-[3-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 111928560
N-(1-adamantyl)-4-amino-1-methylpyrrole-2-carboxamide
CID 43642586
4-cyano-1-methyl-N-(6-methyl-5-nitro-2-pyridinyl)pyrrole-2-carboxamide
CID 71917363
4-cyano-1-methyl-N-[3-(pyridin-4-ylmethoxy)phenyl]pyrrole-2-carboxamide
CID 75424808

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide (CID 100644023) is N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide is Cn1cc(C#N)cc1C(=O)Nc1ncc(C23CC4CC(CC(C4)C2)C3)[nH]1.
What is the InChIKey of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide?
The InChIKey is XAZJSTUMOCGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25-11-15(9-21)5-16(25)18(26)24-19-22-10-17(23-19)20-6-12-2-13(7-20)4-14(3-12)8-20/h5,10-14H,2-4,6-8H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide?
N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-adamantyl)-1H-imidazol-2-yl]-4-cyano-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 100644023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).