(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone

C19H25N5O2 — CID 124994351

IUPAC(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
SMILESCNc1cnc(C[C@@H]2CCCN(C(=O)c3cccnc3OC)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-20-17-13-22-15(12-23-17)11-14-5-4-9-24(10-7-14)19(25)16-6-3-8-21-18(16)26-2/h3,6,8,12-14H,4-5,7,9-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyQEBUDBXVNXHIRG-CQSZACIVSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds5

About (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone

(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone (PubChem CID 124994351) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
PubChem CID124994351
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
SMILESCNc1cnc(C[C@@H]2CCCN(C(=O)c3cccnc3OC)CC2)cn1
InChIInChI=1S/C19H25N5O2/c1-20-17-13-22-15(12-23-17)11-14-5-4-9-24(10-7-14)19(25)16-6-3-8-21-18(16)26-2/h3,6,8,12-14H,4-5,7,9-11H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyQEBUDBXVNXHIRG-CQSZACIVSA-N
XLogP2.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone with MolForge

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Related Compounds

[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125012331
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125012330
(3-methoxyphenyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124954356
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207
[4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110112663
[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124978300
2-methoxy-N-[[5-[(1-methylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]pyridine-3-carboxamide
CID 110117389
1-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-2-thiophen-2-ylethanone
CID 125016444
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone
CID 124961524
(2-methoxy-3-pyridinyl)-[4-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110090461
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone (CID 124994351) is (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone is CNc1cnc(C[C@@H]2CCCN(C(=O)c3cccnc3OC)CC2)cn1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone?
The InChIKey is QEBUDBXVNXHIRG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-20-17-13-22-15(12-23-17)11-14-5-4-9-24(10-7-14)19(25)16-6-3-8-21-18(16)26-2/h3,6,8,12-14H,4-5,7,9-11H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[(4R)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]methanone is sourced from PubChem (CID 124994351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).