N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide

C19H17ClN4O2 — CID 139489311

IUPACN-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(COc3nc(Cl)cnc3N)c2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-4-2-6-14(8-12)18(25)23-15-7-3-5-13(9-15)11-26-19-17(21)22-10-16(20)24-19/h2-10H,11H2,1H3,(H2,21,22)(H,23,25)
InChIKeySXNMVCWPBQFPAU-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide

N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide (PubChem CID 139489311) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide
PubChem CID139489311
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(COc3nc(Cl)cnc3N)c2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-4-2-6-14(8-12)18(25)23-15-7-3-5-13(9-15)11-26-19-17(21)22-10-16(20)24-19/h2-10H,11H2,1H3,(H2,21,22)(H,23,25)
InChIKeySXNMVCWPBQFPAU-UHFFFAOYSA-N
XLogP3.85
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
CID 139489296
3-[(3,4-dichlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8814570
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]benzoic acid
CID 164625380
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methylphenyl)carbamoyl]phenyl]acetate
CID 139506970
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
CID 139489308
2-amino-4-methyl-N-[3-[(3-methylphenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 174610770
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
6-amino-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 62060991
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide (CID 139489311) is N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(COc3nc(Cl)cnc3N)c2)c1.
What is the InChIKey of N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide?
The InChIKey is SXNMVCWPBQFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-4-2-6-14(8-12)18(25)23-15-7-3-5-13(9-15)11-26-19-17(21)22-10-16(20)24-19/h2-10H,11H2,1H3,(H2,21,22)(H,23,25).
What are the key properties of N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide?
N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide has a molecular weight of 368.82 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 139489311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).