[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

C18H16ClN5O — CID 163344506

IUPAC[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C18H16ClN5O/c19-14-9-13-1-2-15(23-17(13)21-10-14)12-4-7-24(8-5-12)18(25)16-3-6-20-11-22-16/h1-3,6,9-12H,4-5,7-8H2
InChIKeySTCSWBLAVIPHSB-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.09
Rot. Bonds2

About [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone

[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (PubChem CID 163344506) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
PubChem CID163344506
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
SMILESO=C(c1ccncn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C18H16ClN5O/c19-14-9-13-1-2-15(23-17(13)21-10-14)12-4-7-24(8-5-12)18(25)16-3-6-20-11-22-16/h1-3,6,9-12H,4-5,7-8H2
InChIKeySTCSWBLAVIPHSB-UHFFFAOYSA-N
XLogP3.09
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 163348070
(1-methyltriazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975295
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
CID 163344099
(2-methylpyrazol-3-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975284
(3-methylimidazol-4-yl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155975312
(3-fluoro-4-pyridinyl)-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 163345283
[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 163348563
3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
CID 163344965
1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 163344936
[(3S)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 124963907

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone (CID 163344506) is [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is O=C(c1ccncn1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
The InChIKey is STCSWBLAVIPHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c19-14-9-13-1-2-15(23-17(13)21-10-14)12-4-7-24(8-5-12)18(25)16-3-6-20-11-22-16/h1-3,6,9-12H,4-5,7-8H2.
What are the key properties of [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone?
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone has a molecular weight of 353.81 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 163344506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).