(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone

C16H25N3O — CID 79074631

IUPAC(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
SMILESCc1ccnc(N)c1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H25N3O/c1-12-8-11-18-15(17)13(12)14(20)16(19(2)3)9-6-4-5-7-10-16/h8,11H,4-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyYICWUZOLZSXVJY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.81
Rot. Bonds3

About (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone

(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone (PubChem CID 79074631) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
PubChem CID79074631
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
SMILESCc1ccnc(N)c1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H25N3O/c1-12-8-11-18-15(17)13(12)14(20)16(19(2)3)9-6-4-5-7-10-16/h8,11H,4-7,9-10H2,1-3H3,(H2,17,18)
InChIKeyYICWUZOLZSXVJY-UHFFFAOYSA-N
XLogP2.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.81
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-(dimethylamino)cycloheptyl]methanone?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone (CID 79074631) is (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone is Cc1ccnc(N)c1C(=O)C1(N(C)C)CCCCCC1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
The InChIKey is YICWUZOLZSXVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-11-18-15(17)13(12)14(20)16(19(2)3)9-6-4-5-7-10-16/h8,11H,4-7,9-10H2,1-3H3,(H2,17,18).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone?
(2-amino-4-methyl-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 2.81, 3 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-(dimethylamino)cycloheptyl]methanone is sourced from PubChem (CID 79074631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).