3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide

C14H24ClN5O — CID 62248018

IUPAC3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C14H24ClN5O/c1-10(2)20(3)9-5-4-8-17-14(21)13-11(15)6-7-12(18-13)19-16/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyNGUYPCBAJRZCQD-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.87
Rot. Bonds8

About 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide (PubChem CID 62248018) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
PubChem CID62248018
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide
SMILESCC(C)N(C)CCCCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C14H24ClN5O/c1-10(2)20(3)9-5-4-8-17-14(21)13-11(15)6-7-12(18-13)19-16/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyNGUYPCBAJRZCQD-UHFFFAOYSA-N
XLogP1.87
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.87
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

3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
6-hydrazinyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106040275
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
3-bromo-4-chloro-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 103841799
3-chloro-6-hydrazinyl-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide
CID 62235495
3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
6-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 62642039
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62242207
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
3-amino-2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033172
2-amino-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-3-carboxamide
CID 62159579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide (CID 62248018) is 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide is CC(C)N(C)CCCCNC(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide?
The InChIKey is NGUYPCBAJRZCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-10(2)20(3)9-5-4-8-17-14(21)13-11(15)6-7-12(18-13)19-16/h6-7,10H,4-5,8-9,16H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-[4-[methyl(propan-2-yl)amino]butyl]pyridine-2-carboxamide is sourced from PubChem (CID 62248018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).