2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C20H31N5O2 — CID 53191077

IUPAC2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C20H31N5O2/c1-24-17-13-25(20(27)22-15-8-3-2-4-9-15)11-10-16(17)23-18(24)12-21-19(26)14-6-5-7-14/h14-15H,2-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyAQTCBPQODWQUPM-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.24
Rot. Bonds4

About 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 53191077) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID53191077
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)NC1CCCCC1)CC2
InChIInChI=1S/C20H31N5O2/c1-24-17-13-25(20(27)22-15-8-3-2-4-9-15)11-10-16(17)23-18(24)12-21-19(26)14-6-5-7-14/h14-15H,2-13H2,1H3,(H,21,26)(H,22,27)
InChIKeyAQTCBPQODWQUPM-UHFFFAOYSA-N
XLogP2.24
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 53190998
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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 53191077) is 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is Cn1c(CNC(=O)C2CCC2)nc2c1CN(C(=O)NC1CCCCC1)CC2.
What is the InChIKey of 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is AQTCBPQODWQUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-24-17-13-25(20(27)22-15-8-3-2-4-9-15)11-10-16(17)23-18(24)12-21-19(26)14-6-5-7-14/h14-15H,2-13H2,1H3,(H,21,26)(H,22,27).
What are the key properties of 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclobutanecarbonylamino)methyl]-N-cyclohexyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 53191077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).