(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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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).