4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride

C16H23Cl2N5O2 — CID 120938991

IUPAC4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCOCC1
InChIInChI=1S/C16H21N5O2.2ClH/c17-12-16(3-8-23-9-4-16)15(22)19-11-13-2-6-18-14(10-13)21-7-1-5-20-21;;/h1-2,5-7,10H,3-4,8-9,11-12,17H2,(H,19,22);2*1H
InChIKeyGOXGLDAFRMIKDF-UHFFFAOYSA-N
MW388.30 g/mol
LogP1.48
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride

4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride (PubChem CID 120938991) has the molecular formula C16H23Cl2N5O2 and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
PubChem CID120938991
Molecular FormulaC16H23Cl2N5O2
Molecular Weight388.30 g/mol
Exact Mass387.12
IUPAC Name4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCOCC1
InChIInChI=1S/C16H21N5O2.2ClH/c17-12-16(3-8-23-9-4-16)15(22)19-11-13-2-6-18-14(10-13)21-7-1-5-20-21;;/h1-2,5-7,10H,3-4,8-9,11-12,17H2,(H,19,22);2*1H
InChIKeyGOXGLDAFRMIKDF-UHFFFAOYSA-N
XLogP1.48
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-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

4-(aminomethyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120924765
4-(methoxymethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 120641782
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]oxane-4-carboxamide
CID 62993317
1-(3-bromophenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 75414500
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide;dihydrochloride
CID 119846907
(2S,5R)-5-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxolane-2-carboxamide;dihydrochloride
CID 120797953
4-(methylamino)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]butanamide
CID 119846908
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
4-(aminomethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120933167
4-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]oxane-4-carboxamide
CID 107231196
4-amino-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pentanamide;dihydrochloride
CID 120564578
4-(aminomethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120918176

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride (CID 120938991) is 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride is Cl.Cl.NCC1(C(=O)NCc2ccnc(-n3cccn3)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride?
The InChIKey is GOXGLDAFRMIKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2.2ClH/c17-12-16(3-8-23-9-4-16)15(22)19-11-13-2-6-18-14(10-13)21-7-1-5-20-21;;/h1-2,5-7,10H,3-4,8-9,11-12,17H2,(H,19,22);2*1H.
What are the key properties of 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride?
4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride has a molecular weight of 388.30 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]oxane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120938991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).