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

C16H18ClN5O2 — CID 122253118

IUPAC3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2cccc(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C16H18ClN5O2/c1-24-16-20-13(19-15(21-16)22-7-2-3-8-22)10-18-14(23)11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,23)
InChIKeyASVZOOLPWSFWTF-UHFFFAOYSA-N
MW347.81 g/mol
LogP2.06
Rot. Bonds5

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

3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (PubChem CID 122253118) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
PubChem CID122253118
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2cccc(Cl)c2)nc(N2CCCC2)n1
InChIInChI=1S/C16H18ClN5O2/c1-24-16-20-13(19-15(21-16)22-7-2-3-8-22)10-18-14(23)11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,23)
InChIKeyASVZOOLPWSFWTF-UHFFFAOYSA-N
XLogP2.06
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
3-cyano-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 121137658
1-(3-chlorophenyl)-3-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]urea
CID 122253439
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]-1,3-benzothiazole-6-carboxamide
CID 122253516
2,5-dichloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-3-carboxamide
CID 121137679
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 122253191
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide (CID 122253118) is 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is COc1nc(CNC(=O)c2cccc(Cl)c2)nc(N2CCCC2)n1.
What is the InChIKey of 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The InChIKey is ASVZOOLPWSFWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c1-24-16-20-13(19-15(21-16)22-7-2-3-8-22)10-18-14(23)11-5-4-6-12(17)9-11/h4-6,9H,2-3,7-8,10H2,1H3,(H,18,23).
What are the key properties of 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide?
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide has a molecular weight of 347.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122253118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).