N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide

C19H22N4O — CID 97392794

IUPACN-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CN(Cc3cccnc3)C2)C1
InChIInChI=1S/C19H22N4O/c24-18(21-17-6-2-1-3-7-17)23-10-8-19(15-23)13-22(14-19)12-16-5-4-9-20-11-16/h1-7,9,11H,8,10,12-15H2,(H,21,24)
InChIKeyYHFVLDIDCWIGOW-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.82
Rot. Bonds3

About N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide

N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide (PubChem CID 97392794) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
PubChem CID97392794
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CN(Cc3cccnc3)C2)C1
InChIInChI=1S/C19H22N4O/c24-18(21-17-6-2-1-3-7-17)23-10-8-19(15-23)13-22(14-19)12-16-5-4-9-20-11-16/h1-7,9,11H,8,10,12-15H2,(H,21,24)
InChIKeyYHFVLDIDCWIGOW-UHFFFAOYSA-N
XLogP2.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-cyclopropyl-2-(pyridin-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 134070752
1-[2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 97392779
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
7-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155854192
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
7-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118745558
(5R)-N-(3-methoxyphenyl)-4-oxo-13-(pyridin-3-ylmethyl)-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 97410326

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide?
The IUPAC name of N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide (CID 97392794) is N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide.
What is the SMILES notation for N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide?
The canonical SMILES for N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide is O=C(Nc1ccccc1)N1CCC2(CN(Cc3cccnc3)C2)C1.
What is the InChIKey of N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide?
The InChIKey is YHFVLDIDCWIGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18(21-17-6-2-1-3-7-17)23-10-8-19(15-23)13-22(14-19)12-16-5-4-9-20-11-16/h1-7,9,11H,8,10,12-15H2,(H,21,24).
What are the key properties of N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide?
N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octane-7-carboxamide is sourced from PubChem (CID 97392794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).