N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide

C17H18ClN3O4 — CID 17191592

IUPACN-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C17H18ClN3O4/c1-24-13-7-11(8-14(9-13)25-2)17(23)19-6-5-16(22)21-15-4-3-12(18)10-20-15/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyPJOAHFCNGCKFPE-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.51
Rot. Bonds7

About N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191592) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191592
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC NameN-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C17H18ClN3O4/c1-24-13-7-11(8-14(9-13)25-2)17(23)19-6-5-16(22)21-15-4-3-12(18)10-20-15/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyPJOAHFCNGCKFPE-UHFFFAOYSA-N
XLogP2.51
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 17191729
N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191702
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-4-[(Z)-N-methoxy-C-pyrrolidin-1-ylcarbonimidoyl]benzamide
CID 87855772
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-[3-(3,5-dimethoxyanilino)-3-oxopropyl]benzamide
CID 9096644
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882361

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191592) is N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is PJOAHFCNGCKFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-24-13-7-11(8-14(9-13)25-2)17(23)19-6-5-16(22)21-15-4-3-12(18)10-20-15/h3-4,7-10H,5-6H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 363.80 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).