6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one

C16H16ClN5O — CID 58166928

IUPAC6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)Nc1nc(Nc2cc(Cl)ccn2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C16H16ClN5O/c1-9(2)20-15-14-10(3-5-19-16(14)23)7-13(22-15)21-12-8-11(17)4-6-18-12/h3-9H,1-2H3,(H,19,23)(H2,18,20,21,22)
InChIKeyUDXGZNNSEIKUCS-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.54
Rot. Bonds4

About 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one

6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one (PubChem CID 58166928) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
PubChem CID58166928
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
SMILESCC(C)Nc1nc(Nc2cc(Cl)ccn2)cc2cc[nH]c(=O)c12
InChIInChI=1S/C16H16ClN5O/c1-9(2)20-15-14-10(3-5-19-16(14)23)7-13(22-15)21-12-8-11(17)4-6-18-12/h3-9H,1-2H3,(H,19,23)(H2,18,20,21,22)
InChIKeyUDXGZNNSEIKUCS-UHFFFAOYSA-N
XLogP3.54
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one (CID 58166928) is 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one is CC(C)Nc1nc(Nc2cc(Cl)ccn2)cc2cc[nH]c(=O)c12.
What is the InChIKey of 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
The InChIKey is UDXGZNNSEIKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-9(2)20-15-14-10(3-5-19-16(14)23)7-13(22-15)21-12-8-11(17)4-6-18-12/h3-9H,1-2H3,(H,19,23)(H2,18,20,21,22).
What are the key properties of 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one?
6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one has a molecular weight of 329.79 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58166928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).