(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride

C19H24Cl2N4O3 — CID 120801097

IUPAC(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)O1
InChIInChI=1S/C19H22N4O3.2ClH/c20-10-16-7-8-17(26-16)19(25)22-11-13-3-5-14(6-4-13)18(24)23-15-2-1-9-21-12-15;;/h1-6,9,12,16-17H,7-8,10-11,20H2,(H,22,25)(H,23,24);2*1H/t16-,17+;;/m1../s1
InChIKeyOOVRRKIWFYZNHD-LWPKXAGOSA-N
MW427.33 g/mol
LogP2.30
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120801097) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120801097
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)O1
InChIInChI=1S/C19H22N4O3.2ClH/c20-10-16-7-8-17(26-16)19(25)22-11-13-3-5-14(6-4-13)18(24)23-15-2-1-9-21-12-15;;/h1-6,9,12,16-17H,7-8,10-11,20H2,(H,22,25)(H,23,24);2*1H/t16-,17+;;/m1../s1
InChIKeyOOVRRKIWFYZNHD-LWPKXAGOSA-N
XLogP2.30
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-5-(aminomethyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120799515
(2S,5R)-5-(aminomethyl)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 120789000
N-[2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]ethyl]pyridine-3-carboxamide;dihydrochloride
CID 120798153
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
(2S,5R)-5-(aminomethyl)-N-[(3-carbamoylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787107
(2S,5R)-5-(aminomethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 120799454
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786767
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
CID 120782639
(2S,5R)-5-(aminomethyl)-N-[[4-(3-methylphenyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120794001
methyl 3-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]benzoate;hydrochloride
CID 120785903
(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 120794968

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride (CID 120801097) is (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is OOVRRKIWFYZNHD-LWPKXAGOSA-N. The full InChI is InChI=1S/C19H22N4O3.2ClH/c20-10-16-7-8-17(26-16)19(25)22-11-13-3-5-14(6-4-13)18(24)23-15-2-1-9-21-12-15;;/h1-6,9,12,16-17H,7-8,10-11,20H2,(H,22,25)(H,23,24);2*1H/t16-,17+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 427.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120801097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).