N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide

C14H22N4O3 — CID 105071089

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(=O)NCCOC
InChIInChI=1S/C14H22N4O3/c1-3-5-16-12-9-15-6-4-11(12)14(20)18-10-13(19)17-7-8-21-2/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUIQOCJMBMMQFNP-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.40
Rot. Bonds9

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071089) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071089
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(=O)NCCOC
InChIInChI=1S/C14H22N4O3/c1-3-5-16-12-9-15-6-4-11(12)14(20)18-10-13(19)17-7-8-21-2/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUIQOCJMBMMQFNP-UHFFFAOYSA-N
XLogP0.40
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
N-(3-methoxypropyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105069961
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-[2-(ethylamino)-2-oxoethyl]-3-hydrazinylpyridine-4-carboxamide
CID 105072034
3-[(3-bromo-4-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 104777242
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
CID 105071026

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide (CID 105071089) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCC(=O)NCCOC.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is UIQOCJMBMMQFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-5-16-12-9-15-6-4-11(12)14(20)18-10-13(19)17-7-8-21-2/h4,6,9,16H,3,5,7-8,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 0.40, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).