1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

C15H24N4O — CID 80630801

IUPAC1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCCNCc1cnc(N2CCCC2C(N)=O)c(C)c1
InChIInChI=1S/C15H24N4O/c1-3-6-17-9-12-8-11(2)15(18-10-12)19-7-4-5-13(19)14(16)20/h8,10,13,17H,3-7,9H2,1-2H3,(H2,16,20)
InChIKeyOOAISKGZZITROG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.34
Rot. Bonds6

About 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide

1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 80630801) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID80630801
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESCCCNCc1cnc(N2CCCC2C(N)=O)c(C)c1
InChIInChI=1S/C15H24N4O/c1-3-6-17-9-12-8-11(2)15(18-10-12)19-7-4-5-13(19)14(16)20/h8,10,13,17H,3-7,9H2,1-2H3,(H2,16,20)
InChIKeyOOAISKGZZITROG-UHFFFAOYSA-N
XLogP1.34
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721
N-[(5-methyl-6-pyrrolidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629075
N-[[6-(2-ethylpyrrolidin-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80630583
N-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)methyl]propan-1-amine
CID 80629285
N-[[6-(4-ethylazepan-1-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80638418
2-methoxy-N-[[5-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 80636876
(E)-3-[6-(2-carbamoylpiperidin-1-yl)-5-methyl-3-pyridinyl]prop-2-enoic acid
CID 80636784
1-[4-[(2-methoxyethylamino)methyl]-2-methylphenyl]pyrrolidine-2-carboxamide
CID 63061257
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methyl-3-pyridinyl]methyl]propan-1-amine
CID 80630835
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
ethyl 1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-2-carboxylate
CID 79718437
N-[[5-methyl-6-(1,4-thiazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80629616

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide (CID 80630801) is 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is CCCNCc1cnc(N2CCCC2C(N)=O)c(C)c1.
What is the InChIKey of 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is OOAISKGZZITROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-6-17-9-12-8-11(2)15(18-10-12)19-7-4-5-13(19)14(16)20/h8,10,13,17H,3-7,9H2,1-2H3,(H2,16,20).
What are the key properties of 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide?
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80630801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).