3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide

C16H17ClN4O3 — CID 48796735

IUPAC3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H17ClN4O3/c1-21(2)15(22)10-6-7-13(24-3)12(9-10)20-16(23)19-11-5-4-8-18-14(11)17/h4-9H,1-3H3,(H2,19,20,23)
InChIKeyQQMNCZSCSUNUNA-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.09
Rot. Bonds4

About 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide

3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide (PubChem CID 48796735) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
PubChem CID48796735
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1cccnc1Cl
InChIInChI=1S/C16H17ClN4O3/c1-21(2)15(22)10-6-7-13(24-3)12(9-10)20-16(23)19-11-5-4-8-18-14(11)17/h4-9H,1-3H3,(H2,19,20,23)
InChIKeyQQMNCZSCSUNUNA-UHFFFAOYSA-N
XLogP3.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-methoxy-N-(pyridin-3-ylcarbamothioyl)benzamide
CID 802066
N-(2-chloropyridin-3-yl)-3,4-dimethoxybenzamide
CID 836058
4-chloro-N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[(2-methoxy-3-pyridinyl)amino]methylidene]amino]propyl]benzamide
CID 10204578
4-methoxy-3-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylphenyl)benzamide
CID 10250531
4-(3-chloropropoxy)-N-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-3-nitrobenzamide
CID 146615277
N-(6-chloro-3-pyridinyl)-4-phenoxybenzamide
CID 852620
(2Z)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)formamido]-N-[(pyridin-4-yl)methyl]prop-2-enamide
CID 1954752
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 3243170
4-Methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}benzamide
CID 16017445
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-methoxy-3-nitrobenzamide
CID 16275976
N-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 44399045
N-(6-chloro-3-pyridinyl)-3-fluoro-4-propan-2-yloxybenzamide
CID 70681964

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide (CID 48796735) is 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide is COc1ccc(C(=O)N(C)C)cc1NC(=O)Nc1cccnc1Cl.
What is the InChIKey of 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
The InChIKey is QQMNCZSCSUNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c1-21(2)15(22)10-6-7-13(24-3)12(9-10)20-16(23)19-11-5-4-8-18-14(11)17/h4-9H,1-3H3,(H2,19,20,23).
What are the key properties of 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide?
3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide has a molecular weight of 348.79 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-pyridinyl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 48796735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).