4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride

C14H23Cl2N3O2 — CID 154918726

IUPAC4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C14H21N3O2.2ClH/c15-5-1-2-14(18)17-13-10-19-9-12(13)8-11-3-6-16-7-4-11;;/h3-4,6-7,12-13H,1-2,5,8-10,15H2,(H,17,18);2*1H/t12-,13+;;/m1../s1
InChIKeyDMPSXBLULFFVBC-VAALMUBNSA-N
MW336.26 g/mol
LogP1.34
Rot. Bonds6

About 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride

4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride (PubChem CID 154918726) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
PubChem CID154918726
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.26 g/mol
Exact Mass335.12
IUPAC Name4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1
InChIInChI=1S/C14H21N3O2.2ClH/c15-5-1-2-14(18)17-13-10-19-9-12(13)8-11-3-6-16-7-4-11;;/h3-4,6-7,12-13H,1-2,5,8-10,15H2,(H,17,18);2*1H/t12-,13+;;/m1../s1
InChIKeyDMPSXBLULFFVBC-VAALMUBNSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-(4-fluorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712334
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
3-ethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134712034
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
1-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 154918766
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride (CID 154918726) is 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)N[C@H]1COC[C@H]1Cc1ccncc1.
What is the InChIKey of 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride?
The InChIKey is DMPSXBLULFFVBC-VAALMUBNSA-N. The full InChI is InChI=1S/C14H21N3O2.2ClH/c15-5-1-2-14(18)17-13-10-19-9-12(13)8-11-3-6-16-7-4-11;;/h3-4,6-7,12-13H,1-2,5,8-10,15H2,(H,17,18);2*1H/t12-,13+;;/m1../s1.
What are the key properties of 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride?
4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride has a molecular weight of 336.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride is sourced from PubChem (CID 154918726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).