N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

C23H23ClN4O — CID 11495172

IUPACN-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCC3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN4O/c24-19-13-16(15-28-11-3-4-12-28)14-26-22(19)17-7-9-18(10-8-17)23(29)27-21-6-2-1-5-20(21)25/h1-2,5-10,13-14H,3-4,11-12,15,25H2,(H,27,29)
InChIKeyOOFKWADKFYKZOU-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.83
Rot. Bonds5

About N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (PubChem CID 11495172) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
PubChem CID11495172
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC NameN-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCC3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN4O/c24-19-13-16(15-28-11-3-4-12-28)14-26-22(19)17-7-9-18(10-8-17)23(29)27-21-6-2-1-5-20(21)25/h1-2,5-10,13-14H,3-4,11-12,15,25H2,(H,27,29)
InChIKeyOOFKWADKFYKZOU-UHFFFAOYSA-N
XLogP4.83
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465
N-(2-aminophenyl)-4-[3-cyano-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 11583810
N-(2-aminophenyl)-4-[3-cyano-5-[[3-(4-fluorophenyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 67269461
N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
CID 11532228
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
4-(2-chlorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide;hydrochloride
CID 18435917
4-(2-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18435919
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide (CID 11495172) is N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2ncc(CN3CCCC3)cc2Cl)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
The InChIKey is OOFKWADKFYKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-19-13-16(15-28-11-3-4-12-28)14-26-22(19)17-7-9-18(10-8-17)23(29)27-21-6-2-1-5-20(21)25/h1-2,5-10,13-14H,3-4,11-12,15,25H2,(H,27,29).
What are the key properties of N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide has a molecular weight of 406.92 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 11495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).