N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

C20H26N4O2 — CID 133140996

IUPACN-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCn1cnc2c1C(C(=O)NC1CC1)CN(CCOCc1ccccc1)C2
InChIInChI=1S/C20H26N4O2/c1-23-14-21-18-12-24(9-10-26-13-15-5-3-2-4-6-15)11-17(19(18)23)20(25)22-16-7-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,22,25)
InChIKeyJPYHYDBARISUPA-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.81
Rot. Bonds7

About N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide

N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (PubChem CID 133140996) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
PubChem CID133140996
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
SMILESCn1cnc2c1C(C(=O)NC1CC1)CN(CCOCc1ccccc1)C2
InChIInChI=1S/C20H26N4O2/c1-23-14-21-18-12-24(9-10-26-13-15-5-3-2-4-6-15)11-17(19(18)23)20(25)22-16-7-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,22,25)
InChIKeyJPYHYDBARISUPA-UHFFFAOYSA-N
XLogP1.81
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydropyrrol-1-yl-[(7S)-1-methyl-5-(2-phenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
CID 124811729
(2S,3aR,7aR)-N-cyclobutyl-6-(2-phenylmethoxyethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124785681
2-phenylmethoxyethyl N-cyclopropylcarbamate
CID 141440519
azetidin-1-yl-(5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 155864440
N-(2-methoxyethyl)-1-methyl-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 131677678
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-N-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide
CID 124806479
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
(7R)-5-benzyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-amine
CID 125480994
N,N-dimethyl-2-[(7S)-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124810265
1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
(7R)-N,N-dimethyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 124805243
(4R)-5-benzyl-N-(2-methoxyethyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-4-carboxamide
CID 97442688

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide (CID 133140996) is N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is Cn1cnc2c1C(C(=O)NC1CC1)CN(CCOCc1ccccc1)C2.
What is the InChIKey of N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
The InChIKey is JPYHYDBARISUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-23-14-21-18-12-24(9-10-26-13-15-5-3-2-4-6-15)11-17(19(18)23)20(25)22-16-7-8-16/h2-6,14,16-17H,7-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide?
N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-(2-phenylmethoxyethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-7-carboxamide is sourced from PubChem (CID 133140996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).