3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

C17H18N6O2 — CID 121137658

IUPAC3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2cccc(C#N)c2)nc(N2CCCC2)n1
InChIInChI=1S/C17H18N6O2/c1-25-17-21-14(20-16(22-17)23-7-2-3-8-23)11-19-15(24)13-6-4-5-12(9-13)10-18/h4-6,9H,2-3,7-8,11H2,1H3,(H,19,24)
InChIKeyOVUKNBBGKHLODJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.28
Rot. Bonds5

About 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide

3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (PubChem CID 121137658) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
PubChem CID121137658
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2cccc(C#N)c2)nc(N2CCCC2)n1
InChIInChI=1S/C17H18N6O2/c1-25-17-21-14(20-16(22-17)23-7-2-3-8-23)11-19-15(24)13-6-4-5-12(9-13)10-18/h4-6,9H,2-3,7-8,11H2,1H3,(H,19,24)
InChIKeyOVUKNBBGKHLODJ-UHFFFAOYSA-N
XLogP1.28
TPSA104.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 122253516
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-3-carboxamide
CID 122253553
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]furan-2-carboxamide
CID 122253418
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]acetamide
CID 122253100
5-acetyl-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253584
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253694
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]quinoxaline-2-carboxamide
CID 122253252
N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclobutanecarboxamide
CID 122253254
2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121137679

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The IUPAC name of 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (CID 121137658) is 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is COc1nc(CNC(=O)c2cccc(C#N)c2)nc(N2CCCC2)n1.
What is the InChIKey of 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The InChIKey is OVUKNBBGKHLODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-25-17-21-14(20-16(22-17)23-7-2-3-8-23)11-19-15(24)13-6-4-5-12(9-13)10-18/h4-6,9H,2-3,7-8,11H2,1H3,(H,19,24).
What are the key properties of 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is sourced from PubChem (CID 121137658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).