3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide

C19H25N5O4 — CID 102336709

IUPAC3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
SMILESC=CC(=O)NCCCNC(=O)c1cncc(C(=O)NCCCNC(=O)C=C)c1
InChIInChI=1S/C19H25N5O4/c1-3-16(25)21-7-5-9-23-18(27)14-11-15(13-20-12-14)19(28)24-10-6-8-22-17(26)4-2/h3-4,11-13H,1-2,5-10H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyUHKHSUVMFHDMDM-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.07
Rot. Bonds12

About 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide

3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide (PubChem CID 102336709) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
PubChem CID102336709
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide
SMILESC=CC(=O)NCCCNC(=O)c1cncc(C(=O)NCCCNC(=O)C=C)c1
InChIInChI=1S/C19H25N5O4/c1-3-16(25)21-7-5-9-23-18(27)14-11-15(13-20-12-14)19(28)24-10-6-8-22-17(26)4-2/h3-4,11-13H,1-2,5-10H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyUHKHSUVMFHDMDM-UHFFFAOYSA-N
XLogP-0.07
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridin-1-ium-3,5-dicarboxamide
CID 102336713
3-N-pentyl-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101794
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-[3-(prop-2-enoylamino)propyl]-6-pyridin-2-ylpyridine-3-carboxamide
CID 175378165
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
5-bromo-N-[3-(methylamino)propyl]pyridine-3-carboxamide
CID 43600789
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-(4-formamidobutyl)-5-(2-methylpropanoyl)pyridine-3-carboxamide
CID 162747669
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
3-N-(2-phenylethyl)-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101755
1-N,3-N,5-N-tris[3-tris(prop-2-enyl)silylpropyl]benzene-1,3,5-tricarboxamide
CID 11767918

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide (CID 102336709) is 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide is C=CC(=O)NCCCNC(=O)c1cncc(C(=O)NCCCNC(=O)C=C)c1.
What is the InChIKey of 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide?
The InChIKey is UHKHSUVMFHDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-3-16(25)21-7-5-9-23-18(27)14-11-15(13-20-12-14)19(28)24-10-6-8-22-17(26)4-2/h3-4,11-13H,1-2,5-10H2,(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide?
3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide has a molecular weight of 387.44 g/mol, XLogP of -0.07, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis[3-(prop-2-enoylamino)propyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 102336709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).