N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide

C24H22ClN5O2 — CID 18727965

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide
SMILESCN1CCCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H22ClN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyHVLNIKATVIVPLM-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.32
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide (PubChem CID 18727965) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide
PubChem CID18727965
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide
SMILESCN1CCCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C24H22ClN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32)
InChIKeyHVLNIKATVIVPLM-UHFFFAOYSA-N
XLogP4.32
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide (CID 18727965) is N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide is CN1CCCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide?
The InChIKey is HVLNIKATVIVPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c1-30-14-4-13-26-22(30)16-7-9-17(10-8-16)23(31)28-20-6-3-2-5-19(20)24(32)29-21-12-11-18(25)15-27-21/h2-3,5-12,15H,4,13-14H2,1H3,(H,28,31)(H,27,29,32).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide has a molecular weight of 447.93 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 18727965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).