3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide

C14H19N5O — CID 118782921

IUPAC3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide
SMILESCc1ccnc(NCCNC(=O)c2c(C)ncn2C)c1
InChIInChI=1S/C14H19N5O/c1-10-4-5-15-12(8-10)16-6-7-17-14(20)13-11(2)18-9-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyNUIQSFPMGUBZGT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds5

About 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide

3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide (PubChem CID 118782921) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide
PubChem CID118782921
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide
SMILESCc1ccnc(NCCNC(=O)c2c(C)ncn2C)c1
InChIInChI=1S/C14H19N5O/c1-10-4-5-15-12(8-10)16-6-7-17-14(20)13-11(2)18-9-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,20)
InChIKeyNUIQSFPMGUBZGT-UHFFFAOYSA-N
XLogP1.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide (CID 118782921) is 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide is Cc1ccnc(NCCNC(=O)c2c(C)ncn2C)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide?
The InChIKey is NUIQSFPMGUBZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-5-15-12(8-10)16-6-7-17-14(20)13-11(2)18-9-19(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)(H,17,20).
What are the key properties of 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide?
3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 118782921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).