2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide

C18H33N5O2 — CID 143077429

IUPAC2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCO)cc(N(C)CCN(CC)CC)n1
InChIInChI=1S/C18H33N5O2/c1-5-8-19-16-13-15(18(25)20-9-12-24)14-17(21-16)22(4)10-11-23(6-2)7-3/h13-14,24H,5-12H2,1-4H3,(H,19,21)(H,20,25)
InChIKeyCBVZJOWMPFIIDL-UHFFFAOYSA-N
MW351.50 g/mol
LogP1.40
Rot. Bonds12

About 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide

2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 143077429) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID143077429
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCO)cc(N(C)CCN(CC)CC)n1
InChIInChI=1S/C18H33N5O2/c1-5-8-19-16-13-15(18(25)20-9-12-24)14-17(21-16)22(4)10-11-23(6-2)7-3/h13-14,24H,5-12H2,1-4H3,(H,19,21)(H,20,25)
InChIKeyCBVZJOWMPFIIDL-UHFFFAOYSA-N
XLogP1.40
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-(2-hydroxyethyl)-2-(propylamino)-6-(2-pyrrolidin-1-ylethylamino)pyridine-4-carboxamide
CID 143077534
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
N,2-diethyl-6-(propylamino)pyridine-4-carboxamide
CID 113380952
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
N-(2-hydroxyethyl)-2-[methylsulfanyl(propyl)amino]-6-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide;toluene
CID 143077447
4-N-[2-(dimethylamino)ethyl]-2-ethyl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80935287
6-N-methyl-4-nitro-2-N,6-N-dipropylpyridine-2,6-diamine
CID 114071065
4-N-[3-(diethylamino)propyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80778408
4-N-[3-(diethylamino)propyl]-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939676
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide (CID 143077429) is 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCO)cc(N(C)CCN(CC)CC)n1.
What is the InChIKey of 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is CBVZJOWMPFIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-5-8-19-16-13-15(18(25)20-9-12-24)14-17(21-16)22(4)10-11-23(6-2)7-3/h13-14,24H,5-12H2,1-4H3,(H,19,21)(H,20,25).
What are the key properties of 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide?
2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 1.40, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-methylamino]-N-(2-hydroxyethyl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 143077429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).