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

C18H31N7O — CID 143341610

IUPAC1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine
SMILESCCC/N=C(\NC#N)NCCOc1cc(N(CCC)CCC)cc(N)n1
InChIInChI=1S/C18H31N7O/c1-4-7-21-18(23-14-19)22-8-11-26-17-13-15(12-16(20)24-17)25(9-5-2)10-6-3/h12-13H,4-11H2,1-3H3,(H2,20,24)(H2,21,22,23)
InChIKeyHBBUEKJZMFGFDV-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.10
Rot. Bonds11

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

1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine (PubChem CID 143341610) has the molecular formula C18H31N7O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine.

Molecular Properties

Compound Name1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine
PubChem CID143341610
Molecular FormulaC18H31N7O
Molecular Weight361.49 g/mol
Exact Mass361.26
IUPAC Name1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine
SMILESCCC/N=C(\NC#N)NCCOc1cc(N(CCC)CCC)cc(N)n1
InChIInChI=1S/C18H31N7O/c1-4-7-21-18(23-14-19)22-8-11-26-17-13-15(12-16(20)24-17)25(9-5-2)10-6-3/h12-13H,4-11H2,1-3H3,(H2,20,24)(H2,21,22,23)
InChIKeyHBBUEKJZMFGFDV-UHFFFAOYSA-N
XLogP2.10
TPSA111.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
6-[2-(cyclohexylamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine;ethane
CID 143846965
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
4-N-butyl-6-[3-[2-(methylamino)ethoxy]propoxy]-4-N-propylpyridine-2,4-diamine
CID 143533273
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
4-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]-N-cyclohexylbutanamide
CID 143340832
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine?
The IUPAC name of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine (CID 143341610) is 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine.
What is the SMILES notation for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine?
The canonical SMILES for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine is CCC/N=C(\NC#N)NCCOc1cc(N(CCC)CCC)cc(N)n1.
What is the InChIKey of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine?
The InChIKey is HBBUEKJZMFGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7O/c1-4-7-21-18(23-14-19)22-8-11-26-17-13-15(12-16(20)24-17)25(9-5-2)10-6-3/h12-13H,4-11H2,1-3H3,(H2,20,24)(H2,21,22,23).
What are the key properties of 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine?
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine has a molecular weight of 361.49 g/mol, XLogP of 2.10, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-cyano-2-propylguanidine is sourced from PubChem (CID 143341610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).