4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide

C21H21N5O2 — CID 143028728

IUPAC4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide
SMILESC=Nc1cc(Oc2ccnc(C(N)=O)c2)ccc1NCNc1ccccc1C
InChIInChI=1S/C21H21N5O2/c1-14-5-3-4-6-17(14)25-13-26-18-8-7-15(11-19(18)23-2)28-16-9-10-24-20(12-16)21(22)27/h3-12,25-26H,2,13H2,1H3,(H2,22,27)
InChIKeyNHAVBQJAGKRXRB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.09
Rot. Bonds8

About 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide

4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide (PubChem CID 143028728) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide
PubChem CID143028728
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide
SMILESC=Nc1cc(Oc2ccnc(C(N)=O)c2)ccc1NCNc1ccccc1C
InChIInChI=1S/C21H21N5O2/c1-14-5-3-4-6-17(14)25-13-26-18-8-7-15(11-19(18)23-2)28-16-9-10-24-20(12-16)21(22)27/h3-12,25-26H,2,13H2,1H3,(H2,22,27)
InChIKeyNHAVBQJAGKRXRB-UHFFFAOYSA-N
XLogP4.09
TPSA101.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(2-carbamoyl-4-pyridinyl)oxy]benzoate
CID 65019269
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-(2-hydroxyethyl)phenoxy]pyridine-2-carboxamide
CID 107709658
4-(2-chlorophenoxy)pyridine-2-carboxamide
CID 141149531
4-[6-(2,2-dimethylpropanoylamino)-2,3-difluorophenoxy]pyridine-2-carboxamide
CID 66917646
5-[(2-carbamoyl-4-pyridinyl)oxy]-2-chlorobenzoic acid
CID 106502994
tert-butyl 4-[3-methyl-4-(methylamino)phenoxy]pyridine-2-carboxylate
CID 25149800
4-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 123767237
4-(4-amino-3-methylphenoxy)-N-methylpyridine-2-carboxamide;hydrochloride
CID 66746840
4-[(2R)-1-fluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204612
4-(3-amino-5-bromophenoxy)pyridine-2-carboxamide
CID 103589245
4-(3-chloro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypyridine-2-carboxamide;ethane
CID 143453781

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide (CID 143028728) is 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide is C=Nc1cc(Oc2ccnc(C(N)=O)c2)ccc1NCNc1ccccc1C.
What is the InChIKey of 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide?
The InChIKey is NHAVBQJAGKRXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-5-3-4-6-17(14)25-13-26-18-8-7-15(11-19(18)23-2)28-16-9-10-24-20(12-16)21(22)27/h3-12,25-26H,2,13H2,1H3,(H2,22,27).
What are the key properties of 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide?
4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylanilino)methylamino]-3-(methylideneamino)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 143028728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).