N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide

C24H22ClN5O3 — CID 18728109

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C24H22ClN5O3/c25-18-9-10-21(27-15-18)29-24(32)19-3-1-2-4-20(19)28-23(31)17-7-5-16(6-8-17)22(26)30-11-13-33-14-12-30/h1-10,15,26H,11-14H2,(H,28,31)(H,27,29,32)/b26-22-
InChIKeyQMOSZWRBPWANLR-ROMGYVFFSA-N
MW463.93 g/mol
LogP3.90
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 18728109) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
PubChem CID18728109
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C24H22ClN5O3/c25-18-9-10-21(27-15-18)29-24(32)19-3-1-2-4-20(19)28-23(31)17-7-5-16(6-8-17)22(26)30-11-13-33-14-12-30/h1-10,15,26H,11-14H2,(H,28,31)(H,27,29,32)/b26-22-
InChIKeyQMOSZWRBPWANLR-ROMGYVFFSA-N
XLogP3.90
TPSA107.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(morpholin-4-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328710
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328711
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)phenyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328721
PD-173952
CID 5328733
Bisanilinopyrimidine, 9a
CID 70702148
Bisanilinopyrimidine, 9c
CID 70702150
{4-[4-Chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-phenylcarbamoyl]-benzyl}-trimethyl-ammonium
CID 9959749
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-ethynylbenzamide
CID 10114497
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)-benzamido)benzamide
CID 10137016
5-chloro-2-(4-(N,N-dimethylcarbamimidoyl)benzamido)-N-(5-ethynylpyridin-2-yl)benzamide
CID 10203976

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide (CID 18728109) is N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is QMOSZWRBPWANLR-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c25-18-9-10-21(27-15-18)29-24(32)19-3-1-2-4-20(19)28-23(31)17-7-5-16(6-8-17)22(26)30-11-13-33-14-12-30/h1-10,15,26H,11-14H2,(H,28,31)(H,27,29,32)/b26-22-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 463.93 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 18728109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).