2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide

C19H37N7O2 — CID 123585481

IUPAC2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide
SMILESNCCCN(CCCN)C(=O)C1=NC(C(=O)N(CCCN)CCCN)CC=C1
InChIInChI=1S/C19H37N7O2/c20-8-2-12-25(13-3-9-21)18(27)16-6-1-7-17(24-16)19(28)26(14-4-10-22)15-5-11-23/h1,6,17H,2-5,7-15,20-23H2
InChIKeyFYWJGWGICVFSGB-UHFFFAOYSA-N
MW395.55 g/mol
LogP-1.19
Rot. Bonds14

About 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide

2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide (PubChem CID 123585481) has the molecular formula C19H37N7O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide
PubChem CID123585481
Molecular FormulaC19H37N7O2
Molecular Weight395.55 g/mol
Exact Mass395.30
IUPAC Name2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide
SMILESNCCCN(CCCN)C(=O)C1=NC(C(=O)N(CCCN)CCCN)CC=C1
InChIInChI=1S/C19H37N7O2/c20-8-2-12-25(13-3-9-21)18(27)16-6-1-7-17(24-16)19(28)26(14-4-10-22)15-5-11-23/h1,6,17H,2-5,7-15,20-23H2
InChIKeyFYWJGWGICVFSGB-UHFFFAOYSA-N
XLogP-1.19
TPSA157.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide with MolForge

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Related Compounds

(Z)-N-[4-[[(2S)-2,4-diaminobutanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide
CID 57824304
(Z)-N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-[[(Z)-hept-4-enoyl]amino]propyl]amino]butyl]hept-4-enamide
CID 57824315
N-[2-[4-(6-methyl-2,3-dihydropyridine-2-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287441
N-[4-[[(2S)-2,4-diaminobutanoyl]-[3-(hept-4-enoylamino)propyl]amino]butyl]hept-4-enamide
CID 90838981
N-[4-[[(2S)-2,3-diaminopropanoyl]-[3-(hept-4-enoylamino)propyl]amino]butyl]hept-4-enamide
CID 91585365
2-N,6-N-dimethyl-2,3-dihydropyridine-2,6-dicarboxamide
CID 137241059
2-amino-N-methyl-N-[(Z)-2-methyliminohex-3-enyl]propanamide
CID 144330488
2-amino-N-[2-[[2-[methyl-[(Z)-3-methyliminohex-4-enyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;ethane
CID 178172502
2-amino-N-methyl-N-[(Z)-3-methyliminohept-4-enyl]propanamide
CID 178172696

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide (CID 123585481) is 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide is NCCCN(CCCN)C(=O)C1=NC(C(=O)N(CCCN)CCCN)CC=C1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide?
The InChIKey is FYWJGWGICVFSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N7O2/c20-8-2-12-25(13-3-9-21)18(27)16-6-1-7-17(24-16)19(28)26(14-4-10-22)15-5-11-23/h1,6,17H,2-5,7-15,20-23H2.
What are the key properties of 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide?
2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide has a molecular weight of 395.55 g/mol, XLogP of -1.19, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetrakis(3-aminopropyl)-2,3-dihydropyridine-2,6-dicarboxamide is sourced from PubChem (CID 123585481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).