(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

C17H21N5O3 — CID 110203476

IUPAC(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C17H21N5O3/c1-24-11-12-9-22(17-18-6-3-7-19-17)10-14(12)16(23)21-13-4-5-15(25-2)20-8-13/h3-8,12,14H,9-11H2,1-2H3,(H,21,23)/t12-,14+/m0/s1
InChIKeyASAQWWCBNOHWOU-GXTWGEPZSA-N
MW343.39 g/mol
LogP1.22
Rot. Bonds6

About (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide

(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110203476) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
PubChem CID110203476
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
SMILESCOC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)Nc1ccc(OC)nc1
InChIInChI=1S/C17H21N5O3/c1-24-11-12-9-22(17-18-6-3-7-19-17)10-14(12)16(23)21-13-4-5-15(25-2)20-8-13/h3-8,12,14H,9-11H2,1-2H3,(H,21,23)/t12-,14+/m0/s1
InChIKeyASAQWWCBNOHWOU-GXTWGEPZSA-N
XLogP1.22
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide (CID 110203476) is (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is COC[C@@H]1CN(c2ncccn2)C[C@H]1C(=O)Nc1ccc(OC)nc1.
What is the InChIKey of (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ASAQWWCBNOHWOU-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-24-11-12-9-22(17-18-6-3-7-19-17)10-14(12)16(23)21-13-4-5-15(25-2)20-8-13/h3-8,12,14H,9-11H2,1-2H3,(H,21,23)/t12-,14+/m0/s1.
What are the key properties of (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide?
(3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(methoxymethyl)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110203476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).