N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide

C22H23ClN4O — CID 11538465

IUPACN-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
SMILESCC(C)NCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1
InChIInChI=1S/C22H23ClN4O/c1-14(2)25-12-15-11-18(23)21(26-13-15)16-7-9-17(10-8-16)22(28)27-20-6-4-3-5-19(20)24/h3-11,13-14,25H,12,24H2,1-2H3,(H,27,28)
InChIKeyCIWBVICTZWVPEM-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.73
Rot. Bonds6

About N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide (PubChem CID 11538465) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
PubChem CID11538465
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
SMILESCC(C)NCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1
InChIInChI=1S/C22H23ClN4O/c1-14(2)25-12-15-11-18(23)21(26-13-15)16-7-9-17(10-8-16)22(28)27-20-6-4-3-5-19(20)24/h3-11,13-14,25H,12,24H2,1-2H3,(H,27,28)
InChIKeyCIWBVICTZWVPEM-UHFFFAOYSA-N
XLogP4.73
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
CID 11532228
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-(2-aminophenyl)-4-[3-cyano-5-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-pyridinyl]benzamide
CID 67269909
6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 11525127
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
N-(2-aminophenyl)-4-[3-cyano-5-[[3-(4-fluorophenyl)piperidin-1-yl]methyl]-2-pyridinyl]benzamide
CID 67269461
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide (CID 11538465) is N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide is CC(C)NCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide?
The InChIKey is CIWBVICTZWVPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-14(2)25-12-15-11-18(23)21(26-13-15)16-7-9-17(10-8-16)22(28)27-20-6-4-3-5-19(20)24/h3-11,13-14,25H,12,24H2,1-2H3,(H,27,28).
What are the key properties of N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide has a molecular weight of 394.91 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11538465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).