2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide

C29H27ClN4O2 — CID 59673287

IUPAC2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2Cl)cc1NCc1ccccc1
InChIInChI=1S/C29H27ClN4O2/c30-26-7-4-14-31-28(26)22-8-13-25(27(19-22)32-20-21-5-2-1-3-6-21)29(35)33-23-9-11-24(12-10-23)34-15-17-36-18-16-34/h1-14,19,32H,15-18,20H2,(H,33,35)
InChIKeyUQSCKGWRRRCSQI-UHFFFAOYSA-N
MW499.01 g/mol
LogP6.10
Rot. Bonds7

About 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide

2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 59673287) has the molecular formula C29H27ClN4O2 and a molecular weight of 499.01 g/mol. Its IUPAC name is 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID59673287
Molecular FormulaC29H27ClN4O2
Molecular Weight499.01 g/mol
Exact Mass498.18
IUPAC Name2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2Cl)cc1NCc1ccccc1
InChIInChI=1S/C29H27ClN4O2/c30-26-7-4-14-31-28(26)22-8-13-25(27(19-22)32-20-21-5-2-1-3-6-21)29(35)33-23-9-11-24(12-10-23)34-15-17-36-18-16-34/h1-14,19,32H,15-18,20H2,(H,33,35)
InChIKeyUQSCKGWRRRCSQI-UHFFFAOYSA-N
XLogP6.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(6-methoxy-3-pyridinyl)benzamide
CID 59673700
4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 11511257
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491
4-(3-chloro-2-pyridinyl)-N-(6-chloro-3-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59781565
2-chloro-N-(4-chloro-3-isoquinolin-1-ylphenyl)-4-morpholin-4-ylbenzamide
CID 70933529
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109346582
2-amino-N-(4-chlorophenyl)-4-(3-chloro-2-pyridinyl)benzamide
CID 59673398
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
N-(2-chloro-4-pyridinyl)-4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)benzamide
CID 59673722

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide (CID 59673287) is 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2ncccc2Cl)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is UQSCKGWRRRCSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClN4O2/c30-26-7-4-14-31-28(26)22-8-13-25(27(19-22)32-20-21-5-2-1-3-6-21)29(35)33-23-9-11-24(12-10-23)34-15-17-36-18-16-34/h1-14,19,32H,15-18,20H2,(H,33,35).
What are the key properties of 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide?
2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 499.01 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-(3-chloro-2-pyridinyl)-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 59673287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).