(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone

C16H24N2O2 — CID 116750801

IUPAC(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)c2c(C)ccnc2N)CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(9-6-4-5-7-10-16)14(19)13-12(2)8-11-18-15(13)17/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyRNFWWPAVNJSEQD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds4

About (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone

(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone (PubChem CID 116750801) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
PubChem CID116750801
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone
SMILESCCOC1(C(=O)c2c(C)ccnc2N)CCCCCC1
InChIInChI=1S/C16H24N2O2/c1-3-20-16(9-6-4-5-7-10-16)14(19)13-12(2)8-11-18-15(13)17/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18)
InChIKeyRNFWWPAVNJSEQD-UHFFFAOYSA-N
XLogP3.28
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone (CID 116750801) is (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone is CCOC1(C(=O)c2c(C)ccnc2N)CCCCCC1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone?
The InChIKey is RNFWWPAVNJSEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-16(9-6-4-5-7-10-16)14(19)13-12(2)8-11-18-15(13)17/h8,11H,3-7,9-10H2,1-2H3,(H2,17,18).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone?
(2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(1-ethoxycycloheptyl)methanone is sourced from PubChem (CID 116750801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).