cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate

C24H32N6O3 — CID 172991711

IUPACcyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)OC5CC5)nc4)CC3)CC2NC1=O
InChIInChI=1S/C24H32N6O3/c1-2-17-12-20-21(27-23(17)31)11-16(13-25-20)15-29-7-9-30(10-8-29)18-3-6-22(26-14-18)28-24(32)33-19-4-5-19/h3,6,12-14,16,19-21H,2,4-5,7-11,15H2,1H3,(H,27,31)(H,26,28,32)
InChIKeyPWWAYUBHWQTUDO-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.21
Rot. Bonds6

About cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate

cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate (PubChem CID 172991711) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate
PubChem CID172991711
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Namecyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate
SMILESCCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)OC5CC5)nc4)CC3)CC2NC1=O
InChIInChI=1S/C24H32N6O3/c1-2-17-12-20-21(27-23(17)31)11-16(13-25-20)15-29-7-9-30(10-8-29)18-3-6-22(26-14-18)28-24(32)33-19-4-5-19/h3,6,12-14,16,19-21H,2,4-5,7-11,15H2,1H3,(H,27,31)(H,26,28,32)
InChIKeyPWWAYUBHWQTUDO-UHFFFAOYSA-N
XLogP2.21
TPSA99.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate?
The IUPAC name of cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate (CID 172991711) is cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate?
The canonical SMILES for cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate is CCC1=CC2N=CC(CN3CCN(c4ccc(NC(=O)OC5CC5)nc4)CC3)CC2NC1=O.
What is the InChIKey of cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate?
The InChIKey is PWWAYUBHWQTUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-2-17-12-20-21(27-23(17)31)11-16(13-25-20)15-29-7-9-30(10-8-29)18-3-6-22(26-14-18)28-24(32)33-19-4-5-19/h3,6,12-14,16,19-21H,2,4-5,7-11,15H2,1H3,(H,27,31)(H,26,28,32).
What are the key properties of cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate?
cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate has a molecular weight of 452.56 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[5-[4-[(7-ethyl-6-oxo-4,4a,5,8a-tetrahydro-3H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 172991711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).