N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide

C13H19N3O2 — CID 109201692

IUPACN-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-8-2-6-14-11-5-7-15-12(9-11)13(17)16-10-3-4-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGIIMFQGZNVYXKZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.42
Rot. Bonds7

About N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109201692) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109201692
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H19N3O2/c1-18-8-2-6-14-11-5-7-15-12(9-11)13(17)16-10-3-4-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGIIMFQGZNVYXKZ-UHFFFAOYSA-N
XLogP1.42
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109204797
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-(4-ethylcyclohexyl)-4-(propylamino)pyridine-2-carboxamide
CID 63498977
ethyl 4-[[4-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205889
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
N-cyclohexyl-4-(ethylamino)pyridine-2-carboxamide
CID 62171612
4-[3-(cyclopropylamino)propylamino]-N-methylpyridine-2-carboxamide
CID 43599645
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-cyclopentyl-4-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109204026
N-(oxan-4-yl)-4-(propylamino)pyridine-2-carboxamide
CID 55046881
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109201692) is N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is GIIMFQGZNVYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-8-2-6-14-11-5-7-15-12(9-11)13(17)16-10-3-4-10/h5,7,9-10H,2-4,6,8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109201692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).