N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H21N3O2 — CID 126814239

IUPACN-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2(N)CCCCC2)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19)
InChIKeyOYMFRGAWSOVJKP-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.78
Rot. Bonds3

About N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 126814239) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID126814239
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCC2(N)CCCCC2)ccc1=O
InChIInChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19)
InChIKeyOYMFRGAWSOVJKP-UHFFFAOYSA-N
XLogP0.78
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 126814239) is N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCC2(N)CCCCC2)ccc1=O.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is OYMFRGAWSOVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-9-11(5-6-12(17)18)13(19)16-10-14(15)7-3-2-4-8-14/h5-6,9H,2-4,7-8,10,15H2,1H3,(H,16,19).
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocyclohexyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 126814239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).