1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide

C20H32N4O2 — CID 125443026

IUPAC1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)N[C@H](CC(C)(C)C)c2cccnc2)CCCCC1
InChIInChI=1S/C20H32N4O2/c1-19(2,3)13-16(15-9-8-12-22-14-15)23-18(26)24-20(17(25)21-4)10-6-5-7-11-20/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,21,25)(H2,23,24,26)/t16-/m1/s1
InChIKeyJWNBTRMQMCYVKG-MRXNPFEDSA-N
MW360.50 g/mol
LogP3.31
Rot. Bonds5

About 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide

1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide (PubChem CID 125443026) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
PubChem CID125443026
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(NC(=O)N[C@H](CC(C)(C)C)c2cccnc2)CCCCC1
InChIInChI=1S/C20H32N4O2/c1-19(2,3)13-16(15-9-8-12-22-14-15)23-18(26)24-20(17(25)21-4)10-6-5-7-11-20/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,21,25)(H2,23,24,26)/t16-/m1/s1
InChIKeyJWNBTRMQMCYVKG-MRXNPFEDSA-N
XLogP3.31
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]phenyl]-N-methylacetamide
CID 126442574
1-(2,2-diphenylethylcarbamoylamino)-N-methylcyclohexane-1-carboxamide
CID 119061773
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
1-[1-(4-chlorophenyl)ethylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 119070824
1-piperidin-1-yl-N-(1-pyridin-3-ylpropyl)cyclohexane-1-carboxamide
CID 91787819
3-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]-1-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methyl]urea
CID 125438272
3-(3,3-dimethyl-1-pyridin-3-ylbutyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 122568421
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 122572746
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
6-cyano-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 91840095
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
6-cyano-N-[(1S)-3,3-dimethyl-1-pyridin-3-ylbutyl]pyridine-3-carboxamide
CID 124844888

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide (CID 125443026) is 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(NC(=O)N[C@H](CC(C)(C)C)c2cccnc2)CCCCC1.
What is the InChIKey of 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
The InChIKey is JWNBTRMQMCYVKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-19(2,3)13-16(15-9-8-12-22-14-15)23-18(26)24-20(17(25)21-4)10-6-5-7-11-20/h8-9,12,14,16H,5-7,10-11,13H2,1-4H3,(H,21,25)(H2,23,24,26)/t16-/m1/s1.
What are the key properties of 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide?
1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-3,3-dimethyl-1-pyridin-3-ylbutyl]carbamoylamino]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 125443026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).