2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide

C14H20N6O2 — CID 70738438

IUPAC2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCCC(=O)NC)cnc21
InChIInChI=1S/C14H20N6O2/c1-3-20-12-10(19-14(20)15)7-9(8-18-12)13(22)17-6-4-5-11(21)16-2/h7-8H,3-6H2,1-2H3,(H2,15,19)(H,16,21)(H,17,22)
InChIKeyFLAJKBLQEQNFOI-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide

2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70738438) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70738438
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCCn1c(N)nc2cc(C(=O)NCCCC(=O)NC)cnc21
InChIInChI=1S/C14H20N6O2/c1-3-20-12-10(19-14(20)15)7-9(8-18-12)13(22)17-6-4-5-11(21)16-2/h7-8H,3-6H2,1-2H3,(H2,15,19)(H,16,21)(H,17,22)
InChIKeyFLAJKBLQEQNFOI-UHFFFAOYSA-N
XLogP0.29
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 70738438) is 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide is CCn1c(N)nc2cc(C(=O)NCCCC(=O)NC)cnc21.
What is the InChIKey of 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is FLAJKBLQEQNFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-3-20-12-10(19-14(20)15)7-9(8-18-12)13(22)17-6-4-5-11(21)16-2/h7-8H,3-6H2,1-2H3,(H2,15,19)(H,16,21)(H,17,22).
What are the key properties of 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide?
2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-N-[4-(methylamino)-4-oxobutyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70738438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).