N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide

C17H18ClN5O2 — CID 166338346

IUPACN-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCNC1
InChIInChI=1S/C17H18ClN5O2/c18-12-4-5-15(20-9-12)23-16(24)11-2-1-3-13(8-11)21-17(25)22-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,23,24)(H2,21,22,25)
InChIKeyPLNMXOLBPLHHHK-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.47
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide

N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide (PubChem CID 166338346) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
PubChem CID166338346
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
SMILESO=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCNC1
InChIInChI=1S/C17H18ClN5O2/c18-12-4-5-15(20-9-12)23-16(24)11-2-1-3-13(8-11)21-17(25)22-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,23,24)(H2,21,22,25)
InChIKeyPLNMXOLBPLHHHK-UHFFFAOYSA-N
XLogP2.47
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-3-[[1-(cyclopentylmethyl)pyrrolidin-3-yl]carbamoylamino]benzamide
CID 166231263
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-[(3-methylpyrrolidin-3-yl)carbamoylamino]benzamide
CID 166243490
N-[3-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 75370264
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
CID 166203369
N-(5-chloro-2-pyridinyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylcarbamoylamino]benzamide
CID 166200385
N-piperidin-3-yl-3-(propan-2-ylcarbamoylamino)benzamide
CID 119426507
N-(5-chloro-2-pyridinyl)-3-[[2-(dimethylamino)-1-(4-methylphenyl)ethyl]carbamoylamino]benzamide
CID 166355447
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-[3-[2-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-3-cyclopropylurea
CID 120803277
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide (CID 166338346) is N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide is O=C(Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1)NC1CCNC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide?
The InChIKey is PLNMXOLBPLHHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-12-4-5-15(20-9-12)23-16(24)11-2-1-3-13(8-11)21-17(25)22-14-6-7-19-10-14/h1-5,8-9,14,19H,6-7,10H2,(H,20,23,24)(H2,21,22,25).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide?
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide has a molecular weight of 359.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide is sourced from PubChem (CID 166338346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).