6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one

C23H29ClN6O2 — CID 58167403

IUPAC6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one
SMILESCN(C)CCn1ccc2cc(Nc3cc(Cl)ccn3)nc(NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C23H29ClN6O2/c1-29(2)11-12-30-10-8-15-13-20(27-19-14-16(24)7-9-25-19)28-22(21(15)23(30)32)26-17-3-5-18(31)6-4-17/h7-10,13-14,17-18,31H,3-6,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyMUBFAGBVISEXOT-UHFFFAOYSA-N
MW456.98 g/mol
LogP3.47
Rot. Bonds7

About 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one

6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one (PubChem CID 58167403) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one
PubChem CID58167403
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one
SMILESCN(C)CCn1ccc2cc(Nc3cc(Cl)ccn3)nc(NC3CCC(O)CC3)c2c1=O
InChIInChI=1S/C23H29ClN6O2/c1-29(2)11-12-30-10-8-15-13-20(27-19-14-16(24)7-9-25-19)28-22(21(15)23(30)32)26-17-3-5-18(31)6-4-17/h7-10,13-14,17-18,31H,3-6,11-12H2,1-2H3,(H2,25,26,27,28)
InChIKeyMUBFAGBVISEXOT-UHFFFAOYSA-N
XLogP3.47
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one?
The IUPAC name of 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one (CID 58167403) is 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one?
The canonical SMILES for 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one is CN(C)CCn1ccc2cc(Nc3cc(Cl)ccn3)nc(NC3CCC(O)CC3)c2c1=O.
What is the InChIKey of 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one?
The InChIKey is MUBFAGBVISEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-29(2)11-12-30-10-8-15-13-20(27-19-14-16(24)7-9-25-19)28-22(21(15)23(30)32)26-17-3-5-18(31)6-4-17/h7-10,13-14,17-18,31H,3-6,11-12H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one?
6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one has a molecular weight of 456.98 g/mol, XLogP of 3.47, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one is sourced from PubChem (CID 58167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).