N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide

C19H17ClN4O2 — CID 139489296

IUPACN-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(COc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-5-14(9-22-8-12)19(25)24-16-4-2-3-13(6-16)11-26-17-7-15(20)10-23-18(17)21/h2-10H,11H2,1H3,(H2,21,23)(H,24,25)
InChIKeyKMLYSEBOMSITFT-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.85
Rot. Bonds5

About N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide

N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide (PubChem CID 139489296) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
PubChem CID139489296
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)Nc2cccc(COc3cc(Cl)cnc3N)c2)c1
InChIInChI=1S/C19H17ClN4O2/c1-12-5-14(9-22-8-12)19(25)24-16-4-2-3-13(6-16)11-26-17-7-15(20)10-23-18(17)21/h2-10H,11H2,1H3,(H2,21,23)(H,24,25)
InChIKeyKMLYSEBOMSITFT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(3-amino-6-chloropyrazin-2-yl)oxymethyl]phenyl]-3-methylbenzamide
CID 139489311
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-3-methylbenzamide
CID 139489308
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-chloro-5-methylbenzamide
CID 166039896
N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
N-(3,5-dichlorophenyl)-5-methylpyridine-3-carboxamide
CID 143700451
4-N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1-N-methylbenzene-1,4-dicarboxamide
CID 127049868
5-methyl-N-[3-[(quinoxalin-2-ylamino)methyl]phenyl]pyridine-3-carboxamide
CID 175850177
benzyl (2R)-2-[(2-amino-5-chloro-3-pyridinyl)oxy]-2-[3-[(3-methoxyphenyl)carbamoyl]phenyl]acetate
CID 139506960
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methylpyridine-3-carboxamide
CID 77072600
N-(3-chlorophenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232423
N-[3-[1-[(2-amino-5-chloro-3-pyridinyl)oxy]ethyl]phenyl]-4-fluoro-3-methylbenzamide
CID 166039897

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide (CID 139489296) is N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)Nc2cccc(COc3cc(Cl)cnc3N)c2)c1.
What is the InChIKey of N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide?
The InChIKey is KMLYSEBOMSITFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-12-5-14(9-22-8-12)19(25)24-16-4-2-3-13(6-16)11-26-17-7-15(20)10-23-18(17)21/h2-10H,11H2,1H3,(H2,21,23)(H,24,25).
What are the key properties of N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide?
N-[3-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide 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-[(2-amino-5-chloro-3-pyridinyl)oxymethyl]phenyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 139489296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).