2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide

C14H21N3O2 — CID 64549575

IUPAC2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OCC1(N)CCCCCC1
InChIInChI=1S/C14H21N3O2/c15-12(18)11-6-5-9-17-13(11)19-10-14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,16H2,(H2,15,18)
InChIKeyZGRQRUBUXWOILE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds4

About 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide

2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide (PubChem CID 64549575) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide
PubChem CID64549575
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OCC1(N)CCCCCC1
InChIInChI=1S/C14H21N3O2/c15-12(18)11-6-5-9-17-13(11)19-10-14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,16H2,(H2,15,18)
InChIKeyZGRQRUBUXWOILE-UHFFFAOYSA-N
XLogP1.61
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide (CID 64549575) is 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1OCC1(N)CCCCCC1.
What is the InChIKey of 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide?
The InChIKey is ZGRQRUBUXWOILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-12(18)11-6-5-9-17-13(11)19-10-14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,10,16H2,(H2,15,18).
What are the key properties of 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide?
2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-aminocycloheptyl)methoxy]pyridine-3-carboxamide is sourced from PubChem (CID 64549575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).