(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide

C16H26N4O2 — CID 95783484

IUPAC(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCCN(C)C[C@@H]1CCN(C(=O)Nc2cccnc2OC)C1
InChIInChI=1S/C16H26N4O2/c1-4-9-19(2)11-13-7-10-20(12-13)16(21)18-14-6-5-8-17-15(14)22-3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyPBLMXFKXVFOMDQ-ZDUSSCGKSA-N
MW306.41 g/mol
LogP2.29
Rot. Bonds6

About (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide

(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 95783484) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID95783484
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCCN(C)C[C@@H]1CCN(C(=O)Nc2cccnc2OC)C1
InChIInChI=1S/C16H26N4O2/c1-4-9-19(2)11-13-7-10-20(12-13)16(21)18-14-6-5-8-17-15(14)22-3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1
InChIKeyPBLMXFKXVFOMDQ-ZDUSSCGKSA-N
XLogP2.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
4-[2-(diethylamino)-2-oxoethyl]-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
CID 56817760
(3S)-N-(3-cyanophenyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783482
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-ethylsulfanylphenyl)pyrrolidine-1-carboxamide
CID 97221170
(3R)-3-[[ethyl(methyl)amino]methyl]-N-(2-piperidin-1-ylphenyl)pyrrolidine-1-carboxamide
CID 95786677
(3S)-N-(4-methyl-3-pyridinyl)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 129342529
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 47850387
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(3-aminophenyl)-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 119895929
2,3-dihydroindol-1-yl-[(3S)-3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 99814553

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide (CID 95783484) is (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide is CCCN(C)C[C@@H]1CCN(C(=O)Nc2cccnc2OC)C1.
What is the InChIKey of (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PBLMXFKXVFOMDQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-9-19(2)11-13-7-10-20(12-13)16(21)18-14-6-5-8-17-15(14)22-3/h5-6,8,13H,4,7,9-12H2,1-3H3,(H,18,21)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide?
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95783484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).