N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide

C18H20N6O2 — CID 6371795

IUPACN,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
SMILESCc1cccc(/C=N\NC(=O)CCC(=O)N/N=C\c2cccc(C)n2)n1
InChIInChI=1S/C18H20N6O2/c1-13-5-3-7-15(21-13)11-19-23-17(25)9-10-18(26)24-20-12-16-8-4-6-14(2)22-16/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,26)/b19-11-,20-12-
InChIKeyBXJKETIUGUWQKW-YZLQMOBTSA-N
MW352.40 g/mol
LogP1.47
Rot. Bonds7

About N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide

N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide (PubChem CID 6371795) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
PubChem CID6371795
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide
SMILESCc1cccc(/C=N\NC(=O)CCC(=O)N/N=C\c2cccc(C)n2)n1
InChIInChI=1S/C18H20N6O2/c1-13-5-3-7-15(21-13)11-19-23-17(25)9-10-18(26)24-20-12-16-8-4-6-14(2)22-16/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,26)/b19-11-,20-12-
InChIKeyBXJKETIUGUWQKW-YZLQMOBTSA-N
XLogP1.47
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methyl-2-pyridinyl)methylideneamino]butanamide
CID 86152430
2-tert-butylsulfanyl-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]acetamide
CID 6078297
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 5042042
1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 3005785
(2S)-2-hydroxy-N-[(Z)-(6-methyl-2-pyridinyl)methylideneamino]-2-phenylacetamide
CID 94849044
copper;methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate
CID 175779142
bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate);zinc
CID 50918126
copper;bis(methyl N-[(6-methyl-2-pyridinyl)methylideneamino]carbamodithioate)
CID 50919597
copper 1-butyl-3-[(6-methyl-2-pyridinyl)methylideneamino]thiourea
CID 50911193
3-[(6-methyl-2-pyridinyl)methylideneamino]-1,1-dipropylthiourea
CID 3005700
4-methyl-N-[4-[[(E)-(6-methyl-2-pyridinyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 126457990

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide (CID 6371795) is N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide is Cc1cccc(/C=N\NC(=O)CCC(=O)N/N=C\c2cccc(C)n2)n1.
What is the InChIKey of N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide?
The InChIKey is BXJKETIUGUWQKW-YZLQMOBTSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-5-3-7-15(21-13)11-19-23-17(25)9-10-18(26)24-20-12-16-8-4-6-14(2)22-16/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)(H,24,26)/b19-11-,20-12-.
What are the key properties of N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide has a molecular weight of 352.40 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(6-methyl-2-pyridinyl)methylideneamino]butanediamide is sourced from PubChem (CID 6371795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).