3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine

C21H22N4O — CID 100696687

IUPAC3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
SMILESc1cncc(-c2cccc(CNc3ncccc3N3CCOCC3)c2)c1
InChIInChI=1S/C21H22N4O/c1-4-17(14-18(5-1)19-6-2-8-22-16-19)15-24-21-20(7-3-9-23-21)25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,23,24)
InChIKeyNXWOJFQMGKAHEF-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.59
Rot. Bonds5

About 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine

3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine (PubChem CID 100696687) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
PubChem CID100696687
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
SMILESc1cncc(-c2cccc(CNc3ncccc3N3CCOCC3)c2)c1
InChIInChI=1S/C21H22N4O/c1-4-17(14-18(5-1)19-6-2-8-22-16-19)15-24-21-20(7-3-9-23-21)25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,23,24)
InChIKeyNXWOJFQMGKAHEF-UHFFFAOYSA-N
XLogP3.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dichlorothiophen-3-yl)methyl]-3-morpholin-4-ylpyridin-2-amine
CID 138044948
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
CID 167840965
6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
CID 90161049
4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123653745
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
6-morpholin-4-yl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481245
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
N-(2-morpholin-4-ylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171960
5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498272
3-[[[6-[5-(3-morpholin-4-ylphenyl)-3-pyridinyl]-2-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenol
CID 67329208
3-[3-[(3-morpholin-4-yl-2-pyridinyl)carbamoylamino]phenyl]propanoic acid
CID 122093056

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine (CID 100696687) is 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine is c1cncc(-c2cccc(CNc3ncccc3N3CCOCC3)c2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine?
The InChIKey is NXWOJFQMGKAHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-4-17(14-18(5-1)19-6-2-8-22-16-19)15-24-21-20(7-3-9-23-21)25-10-12-26-13-11-25/h1-9,14,16H,10-13,15H2,(H,23,24).
What are the key properties of 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine?
3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine has a molecular weight of 346.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 100696687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).