N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

C25H24ClN5O2 — CID 10183134

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C25H24ClN5O2/c26-19-12-13-22(28-16-19)30-25(33)20-6-2-3-7-21(20)29-24(32)18-10-8-17(9-11-18)23(27)31-14-4-1-5-15-31/h2-3,6-13,16,27H,1,4-5,14-15H2,(H,29,32)(H,28,30,33)/b27-23-
InChIKeyKLPINZFXEORXKU-VYIQYICTSA-N
MW461.95 g/mol
LogP5.05
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 10183134) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
PubChem CID10183134
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1
InChIInChI=1S/C25H24ClN5O2/c26-19-12-13-22(28-16-19)30-25(33)20-6-2-3-7-21(20)29-24(32)18-10-8-17(9-11-18)23(27)31-14-4-1-5-15-31/h2-3,6-13,16,27H,1,4-5,14-15H2,(H,29,32)(H,28,30,33)/b27-23-
InChIKeyKLPINZFXEORXKU-VYIQYICTSA-N
XLogP5.05
TPSA98.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.95
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 107867
Pirenzepine
CID 4848
Pirenzepine Hydrochloride
CID 71405
11-(Chloroacetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one
CID 120053
AQ-RA 741
CID 129989
Bibn 99
CID 132712
N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 6p
CID 70702144
AF-DX-384
CID 119357
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-[2-(4-methylphenyl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470741

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide (CID 10183134) is N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is KLPINZFXEORXKU-VYIQYICTSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c26-19-12-13-22(28-16-19)30-25(33)20-6-2-3-7-21(20)29-24(32)18-10-8-17(9-11-18)23(27)31-14-4-1-5-15-31/h2-3,6-13,16,27H,1,4-5,14-15H2,(H,29,32)(H,28,30,33)/b27-23-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 461.95 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 10183134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).