(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride

C15H21Cl2N5O2 — CID 120797953

IUPAC(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)O1
InChIInChI=1S/C15H19N5O2.2ClH/c16-9-12-2-3-13(22-12)15(21)18-10-11-4-6-17-14(8-11)20-7-1-5-19-20;;/h1,4-8,12-13H,2-3,9-10,16H2,(H,18,21);2*1H/t12-,13+;;/m1../s1
InChIKeyTWBRLRHNLSOUDO-VAALMUBNSA-N
MW374.27 g/mol
LogP1.23
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride

(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride (PubChem CID 120797953) has the molecular formula C15H21Cl2N5O2 and a molecular weight of 374.27 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
PubChem CID120797953
Molecular FormulaC15H21Cl2N5O2
Molecular Weight374.27 g/mol
Exact Mass373.11
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)O1
InChIInChI=1S/C15H19N5O2.2ClH/c16-9-12-2-3-13(22-12)15(21)18-10-11-4-6-17-14(8-11)20-7-1-5-19-20;;/h1,4-8,12-13H,2-3,9-10,16H2,(H,18,21);2*1H/t12-,13+;;/m1../s1
InChIKeyTWBRLRHNLSOUDO-VAALMUBNSA-N
XLogP1.23
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119846941
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
(2S,5R)-5-(aminomethyl)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797985
(2S,5R)-5-(aminomethyl)-N-[(3-carbamoylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120787107
4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120938991
(2S,5R)-5-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120786945
(2S,5R)-5-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxolane-2-carboxamide
CID 120793588
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
methyl 3-[[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]methyl]benzoate;hydrochloride
CID 120785903
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
(2S,5R)-5-(aminomethyl)-N-(1,3-benzodioxol-5-ylmethyl)oxolane-2-carboxamide
CID 120782563

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride (CID 120797953) is (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride is Cl.Cl.NC[C@H]1CC[C@@H](C(=O)NCc2ccnc(-n3cccn3)c2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride?
The InChIKey is TWBRLRHNLSOUDO-VAALMUBNSA-N. The full InChI is InChI=1S/C15H19N5O2.2ClH/c16-9-12-2-3-13(22-12)15(21)18-10-11-4-6-17-14(8-11)20-7-1-5-19-20;;/h1,4-8,12-13H,2-3,9-10,16H2,(H,18,21);2*1H/t12-,13+;;/m1../s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride?
(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride has a molecular weight of 374.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 120797953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).