N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C21H26N4O2 — CID 97407262

IUPACN-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCC(C)n1c(C(=O)NCc2ccccc2)nc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C21H26N4O2/c1-14(2)25-18-10-11-24(21(27)16-8-9-16)13-17(18)23-19(25)20(26)22-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,22,26)
InChIKeySYQCRPNZLZIPER-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.69
Rot. Bonds5

About N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 97407262) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID97407262
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCC(C)n1c(C(=O)NCc2ccccc2)nc2c1CCN(C(=O)C1CC1)C2
InChIInChI=1S/C21H26N4O2/c1-14(2)25-18-10-11-24(21(27)16-8-9-16)13-17(18)23-19(25)20(26)22-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,22,26)
InChIKeySYQCRPNZLZIPER-UHFFFAOYSA-N
XLogP2.69
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 97407262) is N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is CC(C)n1c(C(=O)NCc2ccccc2)nc2c1CCN(C(=O)C1CC1)C2.
What is the InChIKey of N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is SYQCRPNZLZIPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(2)25-18-10-11-24(21(27)16-8-9-16)13-17(18)23-19(25)20(26)22-12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(cyclopropanecarbonyl)-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 97407262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).