(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

C16H25N3O — CID 81245049

IUPAC(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCCCC1C
InChIInChI=1S/C16H25N3O/c1-3-9-18-15-8-10-17-12-14(15)16(20)19-11-6-4-5-7-13(19)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,17,18)
InChIKeyYOROTZFIMZXNNL-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.31
Rot. Bonds4

About (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone

(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 81245049) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID81245049
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1CCCCCC1C
InChIInChI=1S/C16H25N3O/c1-3-9-18-15-8-10-17-12-14(15)16(20)19-11-6-4-5-7-13(19)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,17,18)
InChIKeyYOROTZFIMZXNNL-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 102886346
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(4-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 120607916
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(2,6-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236942

Frequently Asked Questions

What is the IUPAC name of (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone (CID 81245049) is (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1CCCCCC1C.
What is the InChIKey of (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is YOROTZFIMZXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-9-18-15-8-10-17-12-14(15)16(20)19-11-6-4-5-7-13(19)2/h8,10,12-13H,3-7,9,11H2,1-2H3,(H,17,18).
What are the key properties of (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone?
(2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81245049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).