N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C20H23N5O — CID 165118090

IUPACN-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESCc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(N=C(N)N)cc1
InChIInChI=1S/C20H23N5O/c1-13-12-15(14-8-10-23-11-9-14)2-7-18(13)19(26)24-16-3-5-17(6-4-16)25-20(21)22/h2-8,12,23H,9-11H2,1H3,(H,24,26)(H4,21,22,25)
InChIKeyCRJBHFZHUPZERD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.53
Rot. Bonds4

About N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 165118090) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID165118090
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESCc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(N=C(N)N)cc1
InChIInChI=1S/C20H23N5O/c1-13-12-15(14-8-10-23-11-9-14)2-7-18(13)19(26)24-16-3-5-17(6-4-16)25-20(21)22/h2-8,12,23H,9-11H2,1H3,(H,24,26)(H4,21,22,25)
InChIKeyCRJBHFZHUPZERD-UHFFFAOYSA-N
XLogP2.53
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-carbamimidoyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(diaminomethylideneamino)phenyl]-2-methylbenzamide
CID 165118952
N-[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769556
tert-butyl (NE)-N-[[4-[4-[[4-(diaminomethylideneamino)phenyl]carbamoyl]-3-methylphenyl]-3,6-dihydro-2H-pyridin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 165118265
2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 167190467
N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 167189908
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
3-methyl-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]benzamide
CID 165119073
N-[3-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 165118046
2-methoxy-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]benzamide
CID 165118223
[3-[[4-(diaminomethylideneamino)phenyl]carbamoyl]naphthalen-2-yl] acetate
CID 70031436
N-(4-aminophenyl)-4-(diaminomethylideneamino)benzamide
CID 12925886
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447

Frequently Asked Questions

What is the IUPAC name of N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 165118090) is N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is Cc1cc(C2=CCNCC2)ccc1C(=O)Nc1ccc(N=C(N)N)cc1.
What is the InChIKey of N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is CRJBHFZHUPZERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-12-15(14-8-10-23-11-9-14)2-7-18(13)19(26)24-16-3-5-17(6-4-16)25-20(21)22/h2-8,12,23H,9-11H2,1H3,(H,24,26)(H4,21,22,25).
What are the key properties of N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 165118090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).