4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide

C18H24N4O3 — CID 82034205

IUPAC4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)CCCN)nc2)cc1
InChIInChI=1S/C18H24N4O3/c1-24-15-5-7-16(8-6-15)25-12-11-20-14-4-9-17(21-13-14)22-18(23)3-2-10-19/h4-9,13,20H,2-3,10-12,19H2,1H3,(H,21,22,23)
InChIKeyHFPVHLGYUXFSGY-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.26
Rot. Bonds10

About 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide

4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide (PubChem CID 82034205) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
PubChem CID82034205
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)CCCN)nc2)cc1
InChIInChI=1S/C18H24N4O3/c1-24-15-5-7-16(8-6-15)25-12-11-20-14-4-9-17(21-13-14)22-18(23)3-2-10-19/h4-9,13,20H,2-3,10-12,19H2,1H3,(H,21,22,23)
InChIKeyHFPVHLGYUXFSGY-UHFFFAOYSA-N
XLogP2.26
TPSA98.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
3-amino-N-[5-[2-(2-hydroxyethoxy)ethylamino]-2-pyridinyl]propanamide
CID 82034177
4-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187377
N-[5-(butylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113023996
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-3-phenoxypropanamide
CID 113013478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide?
The IUPAC name of 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide (CID 82034205) is 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide?
The canonical SMILES for 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide is COc1ccc(OCCNc2ccc(NC(=O)CCCN)nc2)cc1.
What is the InChIKey of 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide?
The InChIKey is HFPVHLGYUXFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-15-5-7-16(8-6-15)25-12-11-20-14-4-9-17(21-13-14)22-18(23)3-2-10-19/h4-9,13,20H,2-3,10-12,19H2,1H3,(H,21,22,23).
What are the key properties of 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide?
4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide has a molecular weight of 344.42 g/mol, XLogP of 2.26, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]butanamide is sourced from PubChem (CID 82034205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).