N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide

C18H21N3O — CID 166616860

IUPACN-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(CC2CCNC2)c1
InChIInChI=1S/C18H21N3O/c1-13-4-3-8-20-17(13)21-18(22)16-6-2-5-14(11-16)10-15-7-9-19-12-15/h2-6,8,11,15,19H,7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyUKCNVRYHOGATGC-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.79
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide

N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide (PubChem CID 166616860) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
PubChem CID166616860
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(CC2CCNC2)c1
InChIInChI=1S/C18H21N3O/c1-13-4-3-8-20-17(13)21-18(22)16-6-2-5-14(11-16)10-15-7-9-19-12-15/h2-6,8,11,15,19H,7,9-10,12H2,1H3,(H,20,21,22)
InChIKeyUKCNVRYHOGATGC-UHFFFAOYSA-N
XLogP2.79
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide (CID 166616860) is N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide is Cc1cccnc1NC(=O)c1cccc(CC2CCNC2)c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide?
The InChIKey is UKCNVRYHOGATGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-4-3-8-20-17(13)21-18(22)16-6-2-5-14(11-16)10-15-7-9-19-12-15/h2-6,8,11,15,19H,7,9-10,12H2,1H3,(H,20,21,22).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide?
N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide has a molecular weight of 295.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide is sourced from PubChem (CID 166616860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).