NXXDJFCUDQRLLL-UHFFFAOYSA-N

Name: NXXDJFCUDQRLLL-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₆N₆O — CID 118238021

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

SMILESCc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1

InChIInChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24)

InChIKeyNXXDJFCUDQRLLL-UHFFFAOYSA-N

MW332.37 g/mol

LogP2.27

Rot. Bonds3

About NXXDJFCUDQRLLL-UHFFFAOYSA-N

NXXDJFCUDQRLLL-UHFFFAOYSA-N (PubChem CID 118238021) has the molecular formula C₁₈H₁₆N₆O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name	NXXDJFCUDQRLLL-UHFFFAOYSA-N
PubChem CID	118238021
Molecular Formula	C₁₈H₁₆N₆O
Molecular Weight	332.37 g/mol
Exact Mass	332.14
IUPAC Name	3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILES	Cc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1
InChI	InChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24)
InChIKey	NXXDJFCUDQRLLL-UHFFFAOYSA-N
XLogP	2.27
TPSA	92.69 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.37
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of NXXDJFCUDQRLLL-UHFFFAOYSA-N?

The IUPAC name of NXXDJFCUDQRLLL-UHFFFAOYSA-N (CID 118238021) is 3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

What is the SMILES notation for NXXDJFCUDQRLLL-UHFFFAOYSA-N?

The canonical SMILES for NXXDJFCUDQRLLL-UHFFFAOYSA-N is Cc1nccc(Nc2cc(-c3cnc4c(c3)C(=O)NCC4)ccn2)n1.

What is the InChIKey of NXXDJFCUDQRLLL-UHFFFAOYSA-N?

The InChIKey is NXXDJFCUDQRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11-19-7-4-16(23-11)24-17-9-12(2-5-20-17)13-8-14-15(22-10-13)3-6-21-18(14)25/h2,4-5,7-10H,3,6H2,1H3,(H,21,25)(H,19,20,23,24).

What are the key properties of NXXDJFCUDQRLLL-UHFFFAOYSA-N?

NXXDJFCUDQRLLL-UHFFFAOYSA-N has a molecular weight of 332.37 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for NXXDJFCUDQRLLL-UHFFFAOYSA-N is sourced from PubChem (CID 118238021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 118238021 — identifiers, structure, computed properties (public domain)

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