N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide

C18H30N6O2 — CID 111009397

IUPACN-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C18H30N6O2/c1-5-20-18(23(4)14-16(25)24(6-2)7-3)22-12-11-21-17(26)15-9-8-10-19-13-15/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,22)(H,21,26)
InChIKeyRKQBBGXYHBMSSD-UHFFFAOYSA-N
MW362.48 g/mol
LogP0.58
Rot. Bonds9

About N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide

N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide (PubChem CID 111009397) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
PubChem CID111009397
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC NameN-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
SMILESCCN/C(=N\CCNC(=O)c1cccnc1)N(C)CC(=O)N(CC)CC
InChIInChI=1S/C18H30N6O2/c1-5-20-18(23(4)14-16(25)24(6-2)7-3)22-12-11-21-17(26)15-9-8-10-19-13-15/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,22)(H,21,26)
InChIKeyRKQBBGXYHBMSSD-UHFFFAOYSA-N
XLogP0.58
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]propyl]benzamide
CID 111009965
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111010150
3-[[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]methyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 111009579
N,N-diethyl-2-[[N-ethyl-N'-(2-imidazol-1-ylethyl)carbamimidoyl]-methylamino]acetamide;hydroiodide
CID 111010148
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111000715
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111009577
N-[2-[[ethylamino-[(4-methylcyclohexyl)amino]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111255717
2-[[N'-[(2-ethoxy-3-pyridinyl)methyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide
CID 111009237
N,N-diethyl-2-[[N-ethyl-N'-[2-(3-methylphenyl)ethyl]carbamimidoyl]-methylamino]acetamide
CID 111010137
methyl 4-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]benzoate
CID 111010273
N,N-diethyl-2-[[N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]carbamimidoyl]-methylamino]acetamide
CID 111009529
2-[[N'-[3-[benzyl(methyl)amino]propyl]-N-ethylcarbamimidoyl]-methylamino]-N,N-diethylacetamide;hydroiodide
CID 111010300

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide (CID 111009397) is N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide is CCN/C(=N\CCNC(=O)c1cccnc1)N(C)CC(=O)N(CC)CC.
What is the InChIKey of N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is RKQBBGXYHBMSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-5-20-18(23(4)14-16(25)24(6-2)7-3)22-12-11-21-17(26)15-9-8-10-19-13-15/h8-10,13H,5-7,11-12,14H2,1-4H3,(H,20,22)(H,21,26).
What are the key properties of N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide?
N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[[2-(diethylamino)-2-oxoethyl]-methylamino]-(ethylamino)methylidene]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 111009397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).