7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

C19H22N4O — CID 118746123

IUPAC7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CCC3(CCN(c4cccnc4)C3=O)C2)n1
InChIInChI=1S/C19H22N4O/c1-15-4-2-5-16(21-15)13-22-10-7-19(14-22)8-11-23(18(19)24)17-6-3-9-20-12-17/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeyOTTZLVYVZNLZSO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.41
Rot. Bonds3

About 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one

7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 118746123) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID118746123
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
SMILESCc1cccc(CN2CCC3(CCN(c4cccnc4)C3=O)C2)n1
InChIInChI=1S/C19H22N4O/c1-15-4-2-5-16(21-15)13-22-10-7-19(14-22)8-11-23(18(19)24)17-6-3-9-20-12-17/h2-6,9,12H,7-8,10-11,13-14H2,1H3
InChIKeyOTTZLVYVZNLZSO-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one (CID 118746123) is 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is Cc1cccc(CN2CCC3(CCN(c4cccnc4)C3=O)C2)n1.
What is the InChIKey of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is OTTZLVYVZNLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-4-2-5-16(21-15)13-22-10-7-19(14-22)8-11-23(18(19)24)17-6-3-9-20-12-17/h2-6,9,12H,7-8,10-11,13-14H2,1H3.
What are the key properties of 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one?
7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 322.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 118746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).