N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide

C24H29N3O3 — CID 164804517

IUPACN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C24H29N3O3/c1-4-27(5-2)19-9-10-20-17(3)21(24(29)30-22(20)15-19)12-14-26-23(28)11-8-18-7-6-13-25-16-18/h6-7,9-10,13,15-16H,4-5,8,11-12,14H2,1-3H3,(H,26,28)
InChIKeyBTIRPPCADZOWAO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.63
Rot. Bonds9

About N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide

N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide (PubChem CID 164804517) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide
PubChem CID164804517
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide
SMILESCCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C24H29N3O3/c1-4-27(5-2)19-9-10-20-17(3)21(24(29)30-22(20)15-19)12-14-26-23(28)11-8-18-7-6-13-25-16-18/h6-7,9-10,13,15-16H,4-5,8,11-12,14H2,1-3H3,(H,26,28)
InChIKeyBTIRPPCADZOWAO-UHFFFAOYSA-N
XLogP3.63
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide (CID 164804517) is N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide is CCN(CC)c1ccc2c(C)c(CCNC(=O)CCc3cccnc3)c(=O)oc2c1.
What is the InChIKey of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide?
The InChIKey is BTIRPPCADZOWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-27(5-2)19-9-10-20-17(3)21(24(29)30-22(20)15-19)12-14-26-23(28)11-8-18-7-6-13-25-16-18/h6-7,9-10,13,15-16H,4-5,8,11-12,14H2,1-3H3,(H,26,28).
What are the key properties of N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide?
N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide has a molecular weight of 407.51 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 164804517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).