(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide

C15H17N5O2 — CID 95826619

IUPAC(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CN(c2cncnc2)CCO1
InChIInChI=1S/C15H17N5O2/c21-15(19-7-12-2-1-3-16-6-12)14-10-20(4-5-22-14)13-8-17-11-18-9-13/h1-3,6,8-9,11,14H,4-5,7,10H2,(H,19,21)/t14-/m1/s1
InChIKeyHNLFZSUWMKJNLU-CQSZACIVSA-N
MW299.33 g/mol
LogP0.39
Rot. Bonds4

About (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide

(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide (PubChem CID 95826619) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
PubChem CID95826619
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@H]1CN(c2cncnc2)CCO1
InChIInChI=1S/C15H17N5O2/c21-15(19-7-12-2-1-3-16-6-12)14-10-20(4-5-22-14)13-8-17-11-18-9-13/h1-3,6,8-9,11,14H,4-5,7,10H2,(H,19,21)/t14-/m1/s1
InChIKeyHNLFZSUWMKJNLU-CQSZACIVSA-N
XLogP0.39
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110257983
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
4-pyrimidin-5-yl-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide
CID 127244733
5-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109184765
(5R)-3-phenyl-N-(pyridin-3-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 129360275
(2S,3aR,7aR)-N-(pyridin-3-ylmethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124782459
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
(2R)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 51725557
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(2S,3S)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636476

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide (CID 95826619) is (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide is O=C(NCc1cccnc1)[C@H]1CN(c2cncnc2)CCO1.
What is the InChIKey of (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
The InChIKey is HNLFZSUWMKJNLU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17N5O2/c21-15(19-7-12-2-1-3-16-6-12)14-10-20(4-5-22-14)13-8-17-11-18-9-13/h1-3,6,8-9,11,14H,4-5,7,10H2,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide?
(2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(pyridin-3-ylmethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide is sourced from PubChem (CID 95826619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).