N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide

C30H34N8O — CID 72551634

IUPACN-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1ccncc1
InChIInChI=1S/C30H34N8O/c39-30(27-11-15-31-16-12-27)37-36-21-25-7-9-26(10-8-25)24-38(19-17-32-22-28-5-1-3-13-34-28)20-18-33-23-29-6-2-4-14-35-29/h1-16,21,32-33H,17-20,22-24H2,(H,37,39)
InChIKeyJPVCKAPGCVUSLK-UHFFFAOYSA-N
MW522.66 g/mol
LogP3.02
Rot. Bonds15

About N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide

N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 72551634) has the molecular formula C30H34N8O and a molecular weight of 522.66 g/mol. Its IUPAC name is N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID72551634
Molecular FormulaC30H34N8O
Molecular Weight522.66 g/mol
Exact Mass522.29
IUPAC NameN-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1ccncc1
InChIInChI=1S/C30H34N8O/c39-30(27-11-15-31-16-12-27)37-36-21-25-7-9-26(10-8-25)24-38(19-17-32-22-28-5-1-3-13-34-28)20-18-33-23-29-6-2-4-14-35-29/h1-16,21,32-33H,17-20,22-24H2,(H,37,39)
InChIKeyJPVCKAPGCVUSLK-UHFFFAOYSA-N
XLogP3.02
TPSA107.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.66
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N'-[(4-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 101492526
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-(benzylideneamino)-4-(diethylaminomethyl)benzamide
CID 165351037
N'-[(4-chlorophenyl)methyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102163295
N'-[[4-[[2-(4-chlorophenyl)ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 59750989
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
(1S)-2-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylamino]-1-phenylpropane-1,3-diol
CID 59750951
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N,N'-bis(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102283031
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide (CID 72551634) is N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1ccc(CN(CCNCc2ccccn2)CCNCc2ccccn2)cc1)c1ccncc1.
What is the InChIKey of N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is JPVCKAPGCVUSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O/c39-30(27-11-15-31-16-12-27)37-36-21-25-7-9-26(10-8-25)24-38(19-17-32-22-28-5-1-3-13-34-28)20-18-33-23-29-6-2-4-14-35-29/h1-16,21,32-33H,17-20,22-24H2,(H,37,39).
What are the key properties of N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 522.66 g/mol, XLogP of 3.02, 15 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 72551634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).