4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide

C16H24N2O2 — CID 134697099

IUPAC4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C16H24N2O2/c1-12(2)3-4-16(19)18-15-11-20-10-14(15)9-13-5-7-17-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyMFQRKZCVLMRDKM-CABCVRRESA-N
MW276.38 g/mol
LogP2.19
Rot. Bonds6

About 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide

4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide (PubChem CID 134697099) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
PubChem CID134697099
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C16H24N2O2/c1-12(2)3-4-16(19)18-15-11-20-10-14(15)9-13-5-7-17-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,18,19)/t14-,15+/m1/s1
InChIKeyMFQRKZCVLMRDKM-CABCVRRESA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918726
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-methoxy-2-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135092017
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135117287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide?
The IUPAC name of 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide (CID 134697099) is 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide is CC(C)CCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide?
The InChIKey is MFQRKZCVLMRDKM-CABCVRRESA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)3-4-16(19)18-15-11-20-10-14(15)9-13-5-7-17-8-6-13/h5-8,12,14-15H,3-4,9-11H2,1-2H3,(H,18,19)/t14-,15+/m1/s1.
What are the key properties of 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide?
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide has a molecular weight of 276.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 134697099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).