1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea

C20H29N5O2 — CID 143341072

IUPAC1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
SMILESCCCN(CCC)c1cc(N)nc(OCCNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H29N5O2/c1-3-11-25(12-4-2)17-14-18(21)24-19(15-17)27-13-10-22-20(26)23-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,21,24)(H2,22,23,26)
InChIKeyNCQCPTNLNHRBML-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.49
Rot. Bonds10

About 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea

1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea (PubChem CID 143341072) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
PubChem CID143341072
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
SMILESCCCN(CCC)c1cc(N)nc(OCCNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H29N5O2/c1-3-11-25(12-4-2)17-14-18(21)24-19(15-17)27-13-10-22-20(26)23-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,21,24)(H2,22,23,26)
InChIKeyNCQCPTNLNHRBML-UHFFFAOYSA-N
XLogP3.49
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.49
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

4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine
CID 143341610
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
4-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]-N-cyclohexylbutanamide
CID 143340832
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
1-[2-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]ethyl]-3-phenylurea
CID 3589759
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
3-amino-6-[4-(dipropylamino)phenyl]-N-phenylpyrazine-2-carboxamide
CID 163610371
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
2-[[4-(dipropylamino)-6-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-2-pyridinyl]oxy]ethyl N-phenylcarbamate
CID 89332304

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea (CID 143341072) is 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea is CCCN(CCC)c1cc(N)nc(OCCNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea?
The InChIKey is NCQCPTNLNHRBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-11-25(12-4-2)17-14-18(21)24-19(15-17)27-13-10-22-20(26)23-16-8-6-5-7-9-16/h5-9,14-15H,3-4,10-13H2,1-2H3,(H2,21,24)(H2,22,23,26).
What are the key properties of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea?
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea has a molecular weight of 371.49 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea is sourced from PubChem (CID 143341072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).