4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide

C20H31N3O2 — CID 109148789

IUPAC4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-12-23(13-4-2)20(25)18-9-7-17(8-10-18)19(24)22-15-16-6-5-11-21-14-16/h5-6,11,14,17-18H,3-4,7-10,12-13,15H2,1-2H3,(H,22,24)
InChIKeyFQJBUDIIMMLUIA-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.15
Rot. Bonds8

About 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide

4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (PubChem CID 109148789) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
PubChem CID109148789
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CCC(C(=O)NCc2cccnc2)CC1
InChIInChI=1S/C20H31N3O2/c1-3-12-23(13-4-2)20(25)18-9-7-17(8-10-18)19(24)22-15-16-6-5-11-21-14-16/h5-6,11,14,17-18H,3-4,7-10,12-13,15H2,1-2H3,(H,22,24)
InChIKeyFQJBUDIIMMLUIA-UHFFFAOYSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
4-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 2815214
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
1-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 28641556
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide (CID 109148789) is 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is CCCN(CCC)C(=O)C1CCC(C(=O)NCc2cccnc2)CC1.
What is the InChIKey of 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
The InChIKey is FQJBUDIIMMLUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-12-23(13-4-2)20(25)18-9-7-17(8-10-18)19(24)22-15-16-6-5-11-21-14-16/h5-6,11,14,17-18H,3-4,7-10,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide?
4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dipropyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 109148789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).