N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C21H29N5O2 — CID 5075453

IUPACN-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCCN(CC)CCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H29N5O2/c1-5-24(6-2)13-9-12-22-21(28)16(4)26-18-11-8-7-10-17(18)20-23-19(27)14-15(3)25(20)26/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3,(H,22,28)
InChIKeyBEJBBYUSLFINRU-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.37
Rot. Bonds8

About N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5075453) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5075453
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCCN(CC)CCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H29N5O2/c1-5-24(6-2)13-9-12-22-21(28)16(4)26-18-11-8-7-10-17(18)20-23-19(27)14-15(3)25(20)26/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3,(H,22,28)
InChIKeyBEJBBYUSLFINRU-UHFFFAOYSA-N
XLogP2.37
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5075453) is N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is CCN(CC)CCCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is BEJBBYUSLFINRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-5-24(6-2)13-9-12-22-21(28)16(4)26-18-11-8-7-10-17(18)20-23-19(27)14-15(3)25(20)26/h7-8,10-11,14,16H,5-6,9,12-13H2,1-4H3,(H,22,28).
What are the key properties of N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 383.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5075453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).