1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide

C14H21N3O — CID 75412190

IUPAC1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(NCc2ccncc2)CCCCCC1
InChIInChI=1S/C14H21N3O/c15-13(18)14(7-3-1-2-4-8-14)17-11-12-5-9-16-10-6-12/h5-6,9-10,17H,1-4,7-8,11H2,(H2,15,18)
InChIKeyMFDSORVKPKUAHF-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.75
Rot. Bonds4

About 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide

1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide (PubChem CID 75412190) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
PubChem CID75412190
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide
SMILESNC(=O)C1(NCc2ccncc2)CCCCCC1
InChIInChI=1S/C14H21N3O/c15-13(18)14(7-3-1-2-4-8-14)17-11-12-5-9-16-10-6-12/h5-6,9-10,17H,1-4,7-8,11H2,(H2,15,18)
InChIKeyMFDSORVKPKUAHF-UHFFFAOYSA-N
XLogP1.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide?
The IUPAC name of 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide (CID 75412190) is 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide is NC(=O)C1(NCc2ccncc2)CCCCCC1.
What is the InChIKey of 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide?
The InChIKey is MFDSORVKPKUAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-13(18)14(7-3-1-2-4-8-14)17-11-12-5-9-16-10-6-12/h5-6,9-10,17H,1-4,7-8,11H2,(H2,15,18).
What are the key properties of 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide?
1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethylamino)cycloheptane-1-carboxamide is sourced from PubChem (CID 75412190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).