6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide

C18H22N4O2 — CID 134695947

IUPAC6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1
InChIInChI=1S/C18H22N4O2/c1-22(2)17-4-3-14(10-20-17)18(23)21-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,9,11-12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyWXBPXJJDYLCIKK-CVEARBPZSA-N
MW326.40 g/mol
LogP1.53
Rot. Bonds5

About 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide

6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide (PubChem CID 134695947) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
PubChem CID134695947
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1
InChIInChI=1S/C18H22N4O2/c1-22(2)17-4-3-14(10-20-17)18(23)21-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,9,11-12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChIKeyWXBPXJJDYLCIKK-CVEARBPZSA-N
XLogP1.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-pyridin-3-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 135116799
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
N-ethyl-6-[[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]amino]pyridine-3-carboxamide
CID 135110585
2-anilino-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrimidine-5-carboxamide
CID 162626374
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134709446
2-[2-methoxyethyl(methyl)amino]-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135104422
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide (CID 134695947) is 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide is CN(C)c1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cn1.
What is the InChIKey of 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide?
The InChIKey is WXBPXJJDYLCIKK-CVEARBPZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(2)17-4-3-14(10-20-17)18(23)21-16-12-24-11-15(16)9-13-5-7-19-8-6-13/h3-8,10,15-16H,9,11-12H2,1-2H3,(H,21,23)/t15-,16+/m1/s1.
What are the key properties of 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide?
6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134695947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).