N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide

C14H18N4O — CID 59251070

IUPACN-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)n2ccnc2)c(C)n1
InChIInChI=1S/C14H18N4O/c1-10-5-6-12(11(2)16-10)14(3,4)17-13(19)18-8-7-15-9-18/h5-9H,1-4H3,(H,17,19)
InChIKeyWBAVXWQRSMPCAU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds2

About N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide

N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide (PubChem CID 59251070) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide
PubChem CID59251070
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide
SMILESCc1ccc(C(C)(C)NC(=O)n2ccnc2)c(C)n1
InChIInChI=1S/C14H18N4O/c1-10-5-6-12(11(2)16-10)14(3,4)17-13(19)18-8-7-15-9-18/h5-9H,1-4H3,(H,17,19)
InChIKeyWBAVXWQRSMPCAU-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide (CID 59251070) is N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide is Cc1ccc(C(C)(C)NC(=O)n2ccnc2)c(C)n1.
What is the InChIKey of N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide?
The InChIKey is WBAVXWQRSMPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-5-6-12(11(2)16-10)14(3,4)17-13(19)18-8-7-15-9-18/h5-9H,1-4H3,(H,17,19).
What are the key properties of N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide?
N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]imidazole-1-carboxamide is sourced from PubChem (CID 59251070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).