N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C14H20N6O — CID 70777462

IUPACN-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1nccn1CCNC(=O)C1NCCc2[nH]cnc21
InChIInChI=1S/C14H20N6O/c1-2-11-15-5-7-20(11)8-6-17-14(21)13-12-10(3-4-16-13)18-9-19-12/h5,7,9,13,16H,2-4,6,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyHYLLCNZUZAYSAE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.17
Rot. Bonds5

About N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 70777462) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID70777462
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCCc1nccn1CCNC(=O)C1NCCc2[nH]cnc21
InChIInChI=1S/C14H20N6O/c1-2-11-15-5-7-20(11)8-6-17-14(21)13-12-10(3-4-16-13)18-9-19-12/h5,7,9,13,16H,2-4,6,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyHYLLCNZUZAYSAE-UHFFFAOYSA-N
XLogP0.17
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[(2-methyl-1H-imidazol-1-yl)acetyl]-5-propyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72856499
3,5-di(propan-2-yl)-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738970
3-methyl-5-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 118738971
1-[3-methyl-4-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 118742967
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide dihydrochloride
CID 70736372
5-[(2-ethyl-1H-imidazol-1-yl)acetyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 70771240
5-[4-(1H-imidazol-1-yl)butanoyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
CID 72857990
5-acetyl-1'-[(1-methyl-1H-imidazol-2-yl)methyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72863851
4-(1-Propylimidazol-2-yl)-5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56879156
2-(5-methyl-1H-imidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 167910555
(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 56876435
5-(cyclopropylcarbonyl)-1'-[2-(1H-imidazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72866625

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 70777462) is N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is CCc1nccn1CCNC(=O)C1NCCc2[nH]cnc21.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is HYLLCNZUZAYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-11-15-5-7-20(11)8-6-17-14(21)13-12-10(3-4-16-13)18-9-19-12/h5,7,9,13,16H,2-4,6,8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 70777462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).