N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

C14H22ClN3O2 — CID 115620351

IUPACN-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H22ClN3O2/c1-3-4-7-20-8-5-6-17-14(19)11-9-12(15)18-13(10-11)16-2/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHOWPWACCQDNVKI-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.71
Rot. Bonds9

About N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide

N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (PubChem CID 115620351) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
PubChem CID115620351
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
SMILESCCCCOCCCNC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C14H22ClN3O2/c1-3-4-7-20-8-5-6-17-14(19)11-9-12(15)18-13(10-11)16-2/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHOWPWACCQDNVKI-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
2-chloro-6-(methylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 63834851
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-6-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]pyridine-4-carboxamide
CID 62236854
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
2-chloro-6-(methylamino)-N-(2-pyrazol-1-ylethyl)pyridine-4-carboxamide
CID 62178675
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide (CID 115620351) is N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is CCCCOCCCNC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is HOWPWACCQDNVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-4-7-20-8-5-6-17-14(19)11-9-12(15)18-13(10-11)16-2/h9-10H,3-8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide?
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 115620351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).