N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide

C23H28ClN5O2 — CID 166231263

IUPACN-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C23H28ClN5O2/c24-18-8-9-21(25-13-18)28-22(30)17-6-3-7-19(12-17)26-23(31)27-20-10-11-29(15-20)14-16-4-1-2-5-16/h3,6-9,12-13,16,20H,1-2,4-5,10-11,14-15H2,(H,25,28,30)(H2,26,27,31)
InChIKeyDVCHSYKLNKHDPL-UHFFFAOYSA-N
MW441.96 g/mol
LogP4.37
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide

N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide (PubChem CID 166231263) has the molecular formula C23H28ClN5O2 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
PubChem CID166231263
Molecular FormulaC23H28ClN5O2
Molecular Weight441.96 g/mol
Exact Mass441.19
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCN(CC2CCCC2)C1
InChIInChI=1S/C23H28ClN5O2/c24-18-8-9-21(25-13-18)28-22(30)17-6-3-7-19(12-17)26-23(31)27-20-10-11-29(15-20)14-16-4-1-2-5-16/h3,6-9,12-13,16,20H,1-2,4-5,10-11,14-15H2,(H,25,28,30)(H2,26,27,31)
InChIKeyDVCHSYKLNKHDPL-UHFFFAOYSA-N
XLogP4.37
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
3-acetamido-N-(5-chloro-2-pyridinyl)benzamide
CID 13177093
N-(5-chloro-2-pyridinyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]benzamide
CID 166200385
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
CID 166203369
3-[(1-benzyl-3-phenylpyrrolidin-3-yl)carbamoylamino]-N-(5-chloro-2-pyridinyl)benzamide
CID 166338478
N-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-3-methylbenzamide
CID 25448585
N-ethyl-3-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]carbamoylamino]benzamide
CID 86952550
N-(5-chloro-2-pyridinyl)-3-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
N-[3-[(3R)-3-[(5-chloro-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-2-cyanoacetamide
CID 162690055
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide (CID 166231263) is N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCN(CC2CCCC2)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide?
The InChIKey is DVCHSYKLNKHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O2/c24-18-8-9-21(25-13-18)28-22(30)17-6-3-7-19(12-17)26-23(31)27-20-10-11-29(15-20)14-16-4-1-2-5-16/h3,6-9,12-13,16,20H,1-2,4-5,10-11,14-15H2,(H,25,28,30)(H2,26,27,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide?
N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide has a molecular weight of 441.96 g/mol, XLogP of 4.37, 6 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)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide is sourced from PubChem (CID 166231263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).