N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide

C20H26N4O — CID 56711778

IUPACN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCc1ccc(CN2CCC(CNC(=O)c3ccc(C)nc3)C2)nc1
InChIInChI=1S/C20H26N4O/c1-3-16-5-7-19(22-10-16)14-24-9-8-17(13-24)11-23-20(25)18-6-4-15(2)21-12-18/h4-7,10,12,17H,3,8-9,11,13-14H2,1-2H3,(H,23,25)
InChIKeyGOIWLSZBYUFQCY-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.60
Rot. Bonds6

About N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide

N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 56711778) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID56711778
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCCc1ccc(CN2CCC(CNC(=O)c3ccc(C)nc3)C2)nc1
InChIInChI=1S/C20H26N4O/c1-3-16-5-7-19(22-10-16)14-24-9-8-17(13-24)11-23-20(25)18-6-4-15(2)21-12-18/h4-7,10,12,17H,3,8-9,11,13-14H2,1-2H3,(H,23,25)
InChIKeyGOIWLSZBYUFQCY-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide (CID 56711778) is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide is CCc1ccc(CN2CCC(CNC(=O)c3ccc(C)nc3)C2)nc1.
What is the InChIKey of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is GOIWLSZBYUFQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16-5-7-19(22-10-16)14-24-9-8-17(13-24)11-23-20(25)18-6-4-15(2)21-12-18/h4-7,10,12,17H,3,8-9,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 56711778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).