N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide

C12H21N5O — CID 81256000

IUPACN-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)10(8-15-9)12(18)14-5-4-6-17(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyUUDDHUJSPLBDSO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.36
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide (PubChem CID 81256000) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
PubChem CID81256000
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
SMILESCc1cc(NN)c(C(=O)NCCCN(C)C)cn1
InChIInChI=1S/C12H21N5O/c1-9-7-11(16-13)10(8-15-9)12(18)14-5-4-6-17(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyUUDDHUJSPLBDSO-UHFFFAOYSA-N
XLogP0.36
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-4-oxobutyl)-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256346
4-hydrazinyl-6-methyl-N-pentylpyridine-3-carboxamide
CID 81255877
4-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-methylpyridine-3-carboxamide
CID 81256702
4-hydrazinyl-N-[3-(2-methoxyethoxy)propyl]-6-methylpyridine-3-carboxamide
CID 114098389
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
4-hydrazinyl-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106340847
4-hydrazinyl-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 81255966
N-[2-(ethylamino)-2-oxoethyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256875
4-hydrazinyl-6-methyl-N-(2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 81256862
N-[3-(cyclopropylamino)-3-oxopropyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81249567
N-[2-(2-fluorophenyl)ethyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81240448
4-hydrazinyl-6-methyl-N-[2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245449

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide (CID 81256000) is N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide is Cc1cc(NN)c(C(=O)NCCCN(C)C)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide?
The InChIKey is UUDDHUJSPLBDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-7-11(16-13)10(8-15-9)12(18)14-5-4-6-17(2)3/h7-8H,4-6,13H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81256000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).