6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide

C24H34N4O3 — CID 18359001

IUPAC6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N(C)C(CN2CCC(OCOC)C2)c2ccccc2)nc1
InChIInChI=1S/C24H34N4O3/c1-4-13-25-24(29)20-10-11-23(26-15-20)27(2)22(19-8-6-5-7-9-19)17-28-14-12-21(16-28)31-18-30-3/h5-11,15,21-22H,4,12-14,16-18H2,1-3H3,(H,25,29)
InChIKeyRDTAIBNNTVTHCC-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.09
Rot. Bonds11

About 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide

6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide (PubChem CID 18359001) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide
PubChem CID18359001
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N(C)C(CN2CCC(OCOC)C2)c2ccccc2)nc1
InChIInChI=1S/C24H34N4O3/c1-4-13-25-24(29)20-10-11-23(26-15-20)27(2)22(19-8-6-5-7-9-19)17-28-14-12-21(16-28)31-18-30-3/h5-11,15,21-22H,4,12-14,16-18H2,1-3H3,(H,25,29)
InChIKeyRDTAIBNNTVTHCC-UHFFFAOYSA-N
XLogP3.09
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide (CID 18359001) is 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(N(C)C(CN2CCC(OCOC)C2)c2ccccc2)nc1.
What is the InChIKey of 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is RDTAIBNNTVTHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-4-13-25-24(29)20-10-11-23(26-15-20)27(2)22(19-8-6-5-7-9-19)17-28-14-12-21(16-28)31-18-30-3/h5-11,15,21-22H,4,12-14,16-18H2,1-3H3,(H,25,29).
What are the key properties of 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide?
6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.09, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 18359001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).