(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide

C17H25N3O2 — CID 129343717

IUPAC(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
SMILESO=C([C@@H]1CCCOC1)N(Cc1cccnc1)C[C@@H]1CCNC1
InChIInChI=1S/C17H25N3O2/c21-17(16-4-2-8-22-13-16)20(12-15-5-7-19-10-15)11-14-3-1-6-18-9-14/h1,3,6,9,15-16,19H,2,4-5,7-8,10-13H2/t15-,16-/m1/s1
InChIKeyXHTRMALUMPNOFC-HZPDHXFCSA-N
MW303.41 g/mol
LogP1.45
Rot. Bonds5

About (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide

(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide (PubChem CID 129343717) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
PubChem CID129343717
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide
SMILESO=C([C@@H]1CCCOC1)N(Cc1cccnc1)C[C@@H]1CCNC1
InChIInChI=1S/C17H25N3O2/c21-17(16-4-2-8-22-13-16)20(12-15-5-7-19-10-15)11-14-3-1-6-18-9-14/h1,3,6,9,15-16,19H,2,4-5,7-8,10-13H2/t15-,16-/m1/s1
InChIKeyXHTRMALUMPNOFC-HZPDHXFCSA-N
XLogP1.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3S)-pyrrolidin-3-yl]methyl]benzamide
CID 129343993
4-chloro-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]benzamide
CID 129343994
(3S)-N-prop-2-enyl-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95220390
5-ethyl-4-methyl-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]furan-2-carboxamide
CID 129337692
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide
CID 119782436
N-benzyl-N-(oxan-4-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119782435
2-ethyl-N-(pyridin-3-ylmethyl)-N-(pyrrolidin-3-ylmethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 128974215
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129339827
(3S)-N-cyclopropyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 81129166
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
N-(piperidin-3-ylmethyl)-N-propyl-3-pyridin-3-ylpropanamide
CID 106628128

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide?
The IUPAC name of (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide (CID 129343717) is (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide is O=C([C@@H]1CCCOC1)N(Cc1cccnc1)C[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide?
The InChIKey is XHTRMALUMPNOFC-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(16-4-2-8-22-13-16)20(12-15-5-7-19-10-15)11-14-3-1-6-18-9-14/h1,3,6,9,15-16,19H,2,4-5,7-8,10-13H2/t15-,16-/m1/s1.
What are the key properties of (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide?
(3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(pyridin-3-ylmethyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 129343717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).