N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide

C13H19N3O — CID 106935104

IUPACN-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCC1CCNC1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(12-5-8-14-9-6-12)13(17)3-2-11-4-7-15-10-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3
InChIKeyGGKDTLWIJUSELH-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.43
Rot. Bonds4

About N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide

N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide (PubChem CID 106935104) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
PubChem CID106935104
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCC1CCNC1)c1ccncc1
InChIInChI=1S/C13H19N3O/c1-16(12-5-8-14-9-6-12)13(17)3-2-11-4-7-15-10-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3
InChIKeyGGKDTLWIJUSELH-UHFFFAOYSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-piperidin-4-yloxy-N-pyridin-4-ylpropanamide
CID 106935070
N-(4-cyanophenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62982663
N-(4-butylphenyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 86814370
1-(4-methyl-3-pyridinyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606120
N-methyl-N-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160298
N-methyl-N-(4-propylphenyl)-2-pyrrolidin-3-ylacetamide
CID 115160309
4-(2-pyrrolidin-3-ylethyl)pyridine
CID 83481928
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
1-(3-methoxypyrazin-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116605952
4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 106935045
N-methyl-N-[3-(methylamino)-3-oxopropyl]-3-pyrrolidin-3-ylpropanamide
CID 103859917

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide (CID 106935104) is N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide is CN(C(=O)CCC1CCNC1)c1ccncc1.
What is the InChIKey of N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide?
The InChIKey is GGKDTLWIJUSELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(12-5-8-14-9-6-12)13(17)3-2-11-4-7-15-10-11/h5-6,8-9,11,15H,2-4,7,10H2,1H3.
What are the key properties of N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide?
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 106935104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).