1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

C17H25N3O2 — CID 109137214

IUPAC1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)NCc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-3-9-20(10-4-2)17(22)15-11-14(15)16(21)19-12-13-5-7-18-8-6-13/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyDIMBGSZWROHSCD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.98
Rot. Bonds8

About 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide

1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137214) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137214
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
SMILESCCCN(CCC)C(=O)C1CC1C(=O)NCc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-3-9-20(10-4-2)17(22)15-11-14(15)16(21)19-12-13-5-7-18-8-6-13/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyDIMBGSZWROHSCD-UHFFFAOYSA-N
XLogP1.98
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138681
1-N-benzyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137207
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
2-N-(pyridin-4-ylmethyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137238
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206
1-N-(4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137244
1-N-(1-phenylethyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109135595
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
1-N-(2,6-difluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137322
1-N-(2,3-dimethylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137231

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide (CID 109137214) is 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is CCCN(CCC)C(=O)C1CC1C(=O)NCc1ccncc1.
What is the InChIKey of 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is DIMBGSZWROHSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-9-20(10-4-2)17(22)15-11-14(15)16(21)19-12-13-5-7-18-8-6-13/h5-8,14-15H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide?
1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dipropyl-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).