3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide

C18H26N4O — CID 57295965

IUPAC3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CC(C)Nc1ccnc2cccnc12
InChIInChI=1S/C18H26N4O/c1-4-11-22(12-5-2)17(23)13-14(3)21-16-8-10-19-15-7-6-9-20-18(15)16/h6-10,14H,4-5,11-13H2,1-3H3,(H,19,21)
InChIKeySMYWAGJMCDPHSU-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.47
Rot. Bonds8

About 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide

3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide (PubChem CID 57295965) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide.

Molecular Properties

Compound Name3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide
PubChem CID57295965
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide
SMILESCCCN(CCC)C(=O)CC(C)Nc1ccnc2cccnc12
InChIInChI=1S/C18H26N4O/c1-4-11-22(12-5-2)17(23)13-14(3)21-16-8-10-19-15-7-6-9-20-18(15)16/h6-10,14H,4-5,11-13H2,1-3H3,(H,19,21)
InChIKeySMYWAGJMCDPHSU-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide?
The IUPAC name of 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide (CID 57295965) is 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide.
What is the SMILES notation for 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide?
The canonical SMILES for 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide is CCCN(CCC)C(=O)CC(C)Nc1ccnc2cccnc12.
What is the InChIKey of 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide?
The InChIKey is SMYWAGJMCDPHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-4-11-22(12-5-2)17(23)13-14(3)21-16-8-10-19-15-7-6-9-20-18(15)16/h6-10,14H,4-5,11-13H2,1-3H3,(H,19,21).
What are the key properties of 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide?
3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-naphthyridin-4-ylamino)-N,N-dipropylbutanamide is sourced from PubChem (CID 57295965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).