N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

C20H23N5O — CID 28766485

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESc1cnc(N2CCOCC2)c(CNCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H23N5O/c1-3-18(20(22-8-1)24-11-13-26-14-12-24)16-21-15-17-4-6-19(7-5-17)25-10-2-9-23-25/h1-10,21H,11-16H2
InChIKeyQHAIRKLQBIYCQG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.39
Rot. Bonds6

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 28766485) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID28766485
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESc1cnc(N2CCOCC2)c(CNCc2ccc(-n3cccn3)cc2)c1
InChIInChI=1S/C20H23N5O/c1-3-18(20(22-8-1)24-11-13-26-14-12-24)16-21-15-17-4-6-19(7-5-17)25-10-2-9-23-25/h1-10,21H,11-16H2
InChIKeyQHAIRKLQBIYCQG-UHFFFAOYSA-N
XLogP2.39
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine;hydroiodide
CID 111863425
1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
CID 51086139
1-(3-bromophenyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]methanamine
CID 55684100
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 38051168
N-[(2-bromophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 61402147
N-[(2-chlorophenyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine
CID 43226678
2-methyl-N-[[2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62974256
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 26336284
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
N-methyl-5-[[(2-morpholin-4-yl-3-pyridinyl)methylamino]methyl]-N-propan-2-ylpyridin-2-amine
CID 119047892
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 45198325

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine (CID 28766485) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is c1cnc(N2CCOCC2)c(CNCc2ccc(-n3cccn3)cc2)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is QHAIRKLQBIYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-18(20(22-8-1)24-11-13-26-14-12-24)16-21-15-17-4-6-19(7-5-17)25-10-2-9-23-25/h1-10,21H,11-16H2.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 349.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 28766485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).